![C13h13no5 1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -trione, 4-etyl-7 7,8-dihydro-4- hîdroxy-, (4s) - (9CI, ACI) H319, H302](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C13H13NO5 1H-Pyrano [3,4-f] indolizine-3,6,10 (4h) -trione, 4-Ethyl-7,8-dihydro-4- hîdroxy - (9CI, ACI) H319, H302 Wêne Taybet](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano.jpg)
C13h13no5 1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -trione, 4-etyl-7 7,8-dihydro-4- hîdroxy-, (4s) - (9CI, ACI) H319, H302
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 263.25 | - |
| Melting Point (ceribandin) | 177.1-178.3 ° C | - |
| Point Point (texmîn kirin) | 666.6 ± 55.0 ° C | Pressapkirin: 760 Torr |
| Dendik (texmîn kirin) | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 11.20 ± 0.20 | Temana herî acid: 25 ° C |
Smiles Canonical O = C1C2 = c (c = c3c (= o) ccn13) C (O) (C (= O) OC2) CC
Isomeric smiles c (c) [c @] 1 (o) c2 = c (= o) n3c (= o) cc3) coc1 = o
Inchi
Inchi = 1s / c13h13no5 / c1-2-13 (15) 3-4-14 (9) 11 (8) 7 (8) 6-19-12 (13) 17 / h5,18h, 2-4,6h2,1h3 / t13-6h2,1h3 / t13-4- / M0 / S1
Keyeya Inchi
IGKWoGMVAoYvsj-zdusscgksa-n
5 Navên din ên ji bo vê madeyê
(4s) -4-ethyl-7,8-dihydro-4-hîdroxy-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -Trione (ACI); 1h-pyrano [3,4-f] indolizine-3,6,10 (4h) -trione, 4- Ethyl-7,8-dihydro-4-hîdroxy-, (s) - (zci); (4s) -4-ethyl-4-hîdroksî-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10 (4h) trione; (4s) -4-etyl-4-
hydroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizine-3,6,10-trione; (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1h-Pyrano [3,4-f] indolizine-3,6,10 (4H) -Trione
| Taybetmendiyên berdest |
| Optîkî û belav kirin |
| Thermal |
Optîkî û belav kirin
| Mal | Giranî | Rewş | Kanî |
| Hêza Rotatorê Optîkî | +120.6 DEG | C: 0.62 G / 100ml; Solvent: Chloroform | (1) Ic |
| Hêza Rotatorê Optîkî | +120.57 DEG | C: 0.62 G / 100ml; Solvent: Chloroform; Temp: 20 ° C | (2) Ic |
| Hêza Rotatorê Optîkî | +119.57 DEG | C: 1.0 g / 100ml; Solvent: Chloroform; T: 589.3 Nm; Temp: 25 ° C | (3) cas |
| Hêza Rotatorê Optîkî | +119.57 derece · ML / G · DM | C: 1.0 g / 100ml; Solvent: Chloroform; Al: Line Sodium D; Temp: 25 ° C | (4) cas |
| Hêza Rotatorê Optîkî | +117.6 DEG | C: 0.56 G / 100ml; Solvent: Chloroform; Temp: 23 ° C | (5) Ic |
| Hêza Rotatorê Optîkî | +116.14 DEGREES · ML / G · DM | C: 1.0 g / 100ml; Solvent: Chloroform; Al: Line Sodium D; Temp: 26 ° C | (4) cas |
| Hêza Rotatorê Optîkî | +96 DEG | C: 0440 G / 100ml; Temp: 21 ° C | (6) Ic |
| Hêza Rotatorê Optîkî | +77.8 DEG | C: 0.62 G / 100ml; Solvent: Chloroform; T: 589.3 Nm; Temp: 25 ° C | (7) cas |
(1) Terasawa, Hirofumi; Bultena Kîmyewî û Dermanan, (1989), 37 (12), 3382-5, CA CA CA CA CA CA CA CA CA CA CALLUS
(2) Tagawa, Hiroaki; EP220601, A1, 1987, CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CA CALLY
(3) Henegar, Kevin E.; Kovara Kîmya organîk, (1997), 62 (19), 6588-6597, CA CAvlus
(4) Watanabe, Tatsuya; Kîmya - Kovarek Asyayî, (2013), 8 (3), 630-638, CA CA CA CALLUS
(5) Ejima, akio; Journal of Civaka Kîmyewî, Danûstandinên Perkin 1: Kîmya organîk û Bio-Organicî (1972-1999), (1990) (1), 27-31, CA CAvlus
(6) Wanî, Mansukh c; Journal of Medicinal Chemistry, (1987), 30(12), 2317-19, CAplus
(7) Kuang, Yun-yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, caplus
Thermal
| Mal | Giranî | Rewş | Kanî | |
| Xala melting | 183-185 ° C (Decomp) | (1) cas | ||
| Xala melting | 177.1-178.3 ° C | (2) cas | ||
| Xala melting | 176-177 ° C (Decomp) | (3) Ic | ||
| Xala melting | 169-170 ° C | Solvent: | Ethyl Acetate | (4) Ic |
(1) Kuang, Yun-yan; Helvetica Chimica Acta, (2010), 93 (10), 2094-2099, caplus
(2) Henegar, Kevin E.; Kovara Kîmya organîk, (1997), 62 (19), 6588-6597, CA CAvlus
(3) Ejima, Akio; Journal of Civaka Kîmyewî, Danûstandinên Perkin 1: Kîmya organîk û Bio-Organicî (1972-1999), (1990) (1), 27-31, CA CAvlus
(4) Wani, Mansukh c; Journal of Medicinal Chemistry, (1987), 30(12), 2317-19, CAplus
Spectra peyda dibe
1h nmr
Gel
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
| Thermal |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.0 | PH 10; Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Şîmyakî
| Mal | Giranî | Rewş | Kanî |
| Koc | 7.37 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 7.37 | PH 7; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 7.37 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 7.33 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 6.94 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | -0.94 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | -0.96 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | -0.936 ± 0.842 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 371 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 371 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 371 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 371 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 371 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 371 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 371 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 371 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 371 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 371 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 392 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 371 g / l | Wateriyayê Unbuffered PH 5.53; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 1.41 Mol / L | Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.41 Mol / L | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.41 Mol / L | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.41 Mol / L | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.41 Mol / L | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.41 Mol / L | PH 5; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî | |
| Solubility molar | 1.41 Mol / L | PH 6; Temp: 25 ° C | (1) ACD | |
| Solubility molar | 1.41 Mol / L | PH 7; Temp: 25 ° C | (1) ACD | |
| Solubility molar | 1.41 Mol / L | PH 8; Temp: 25 ° C | (1) ACD | |
| Solubility molar | 1.41 Mol / L | PH 9; Temp: 25 ° C | (1) ACD | |
| Solubility molar | 1.49 Mol / L | PH 10; Temp: 25 ° C | (1) ACD | |
| Solubility molar | 1.41 Mol / L | Wateriyayê Unbuffered PH 5.53; Temp: 25 ° C | (1) ACD | |
| Giraniya molekul | 263.25 | |||
| pka | 11.20 ± 0.20 | Temana herî acid: 25 ° C | (1) ACD | |
| pka | -2.24 ± 0.40 | Temana herî bingehîn: 25 ° C | (1) ACD | |
| Zexta vapor | 1.29 x 10-20 | Torr | Temp: 25 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Dendetî
| Mal | Giranî | Rewş | Kanî |
| Dendetî | 1.50 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 174.8 ± 5.0 CM3 / MOL | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Lipinski
| Mal | Giranî | Rewş | Kanî |
| Bonds rotatable ya azad | 2 | (1) ACD | |
| H qebûlkar | 6 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qedexe | 7 | (1) ACD | |
| logp | -0.936 ± 0.842 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 263.25 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 83.9 A2 | (1) ACD | |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Thermal
| Mal | Giranî | Rewş | Kanî |
| Xala zirav | 666.6 ± 55.0 ° C | Pressapkirin: 760 Torr | (1) ACD |
| Enthalpy ya vaporîzasyonê | 112.17 ± 6.0 KJ / MOL | Pressapkirin: 760 Torr | (1) ACD |
| Point Point | 357.0 ± 31.5 ° C | (1) ACD |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Spectra peyda dibe
1h nmr
13C nmr
| Navê dizî | Daxuyaniya Hazard | Kanî |
| H319 | Dibe sedema acizkirina çavê ciddî | Ajansa Kîmyewî ya Ewropî (Echa) Klasîkirina & Labeling - Klasîkirina Notified û Notification - Nîşaneyên herî gelemperî, Ajansa Kîmyewî ya Ewropî (Echa) |
| H302 | Heke guhêrbar bibe zerar | Ajansa Kîmyewî ya Ewropî (Echa) Klasîkirina & Labeling - Klasîkirina Notified û Notification - Nîşaneyên herî gelemperî, Ajansa Kîmyewî ya Ewropî (Echa) |
Agahdariya Karsaziya Bawer: Giştî
| Sînonolojiyên birêkûpêk | ||
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1h-Pyranno (3,4-F) Indolizine-3,6,10 (4H) -Trione | - | Fransî |
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1h-Pîranno [3,4-f] indolizine-3,6,10 (4h) -trione | - | Fransî |
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1h-Pyrano (3,4-F) Indolizin-3,6,10 (4H) -Trion | - | Danish, German |
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1h-Pyrano (3,4-F) Indolizine-3,6,10 (4H) -Trion | - | Holandî |
| (S) -4-ethyl-4-hîdroxy-7,8-dihydro-1h-pyrano [3,4-f] indolizin-3,6,10 (4h) -Trion | - | Danish, German |
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1h-Pyrano [3,4-f] indolizine-3,6,10 (4h) -Trion | - | Holandî |
| (S) -4-Ethyl-4-Hydroxy-7,8-Dihydro-1h-Pyrano [3,4-f] indolizine-3,6,10 (4H) -Trione | - | - |
| (S) -4-etil-4-hidroxi-7,8-dihidro-1h-dihidro-1h-pirano (3,4-f) indoliza-3,6,10 (4h) -triona | - | Portugalî, Spanî |
| (S) -4-etil-4-hidroxi-7,8-dihidro-1h-pirano [3,4-f] indoliza-3,6,10 (4h) -triona | - | Portugalî, Spanî |
| (S) -4-etil-4-idrossi-7,8-diidro-1h-pirano (3,4-f) indolizin-3,6,10 (4h) -trione | - | Îtalî |
| (S) -4-etil-4-idrossi-7,8-diidro-1h-pirano [3,4-f] indolizin-3,6,10 (4h) -trione | - | Îtalî |
| (S) -4-etyl-4-hîdroksi-7,8-dihydro-1h-pyrano (3,4-f) indolizin-3,6,10 (4h) -Trion | - | Swêdî |
| (S) -4-etyl-4-hîdroksi-7,8-dihydro-1h-pyrano [3,4-f] indolizin-3,6,10 (4h) -Trion | - | Swêdî |
| (S) -4-etyyli-4-hydroksi-7,8-dihydro-1h-pyrano (3,4-f) indolitsiini-3,6,10 (4h) -Trioni | - | Fînlandî |
| (S) -4-etyyli-4-hydroksi-7,8-dihydro-1h-pyrano [3,4-f] indolitsiini-3,6,10 (4h) -Trioni | - | Fînlandî |
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