C17h17n5o5 adenosine, n-benzoyl- (7ci, 9ci, aci) h333, H303, H302
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 371.35 | - |
| Melting Point (ceribandin) | 152 ° C | - |
| Dendik (texmîn kirin) | 1.70 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 7.87 ± 0.43 | Temana herî acid: 25 ° C |
Smiles canonical o = c (nc1 = nc = nc2 = c1n = cn2c3oc (o) c (o) c (o) cc = cc4
Isomeric smiles o [c @ h] (n2c = 3c (n = c2) = c (nc (= o) c4 = cc = cc = c4) n = cn3) o [c @ h] (c @ h] 1o
Inchi
Inchi = 1s / c17h17n5o5 / c23-6-10-12 (27-10) 22-8-19-11-14 (18-7-19-15 (11) 22) 21-16 (26) 9-16 (26) 9-5-9-8,1-5,7-8,10,12-13,17, 23-25h, 6h2, (H, 18,19,21,26) / T10-, 12-, 13-, 17- / M1 / S1
Keyeya Inchi
NZDWTKFDauodana-cnemsgbdsa-n
3 navên din ên ji bo vê madeyê
Benzamide, n- (9-β-d-ribofuranosyl-9h-purin-6-yl) - (8CI); N-Benzoyladenosine (ACI); N6-Benzoyladenosine
| Taybetmendiyên berdest |
| Thermal |
Thermal
| Mal | Giranî | Rewş | Kanî |
| Xala melting | 152 ° C | (1) Ic | |
(1) Gopalakrishnan, Vidhya; Dozdar - Akademiya Zanistên Hindî, Zanistên Kîmyewî, (1989), 101 (5), 401-13, CA CA CA CA CA CA CAPLUS
Spectra peyda dibe
1h nmr
13C nmr
Hetero nmr
IR
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 1.0 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.83 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.56 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.67 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.68 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.65 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2.37 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1.16 | 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 | 12.6 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 48.2 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 67.3 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 70.1 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 70.3 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 69.5 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 62.2 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 30.5 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 5.54 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1.22 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 0.12 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 0.70 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 0.85 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 0.86 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 0.87 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 0.86 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 0.81 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 0.50 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | -0.24 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | -0.89 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 0.868 ± 0.577 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 0.037 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.22 G / L | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.056 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.041 G / L | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.041 G / L | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.037 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.041 G / L | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.045 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.089 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 0.48 G / L | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 2.2 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility girseyî | 0.041 G / L | Water unbuffered PH 5.93; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 1.0 x 10-4 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 5.8 x 10-4 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.5 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-4 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-4 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.0 x 10-4 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-4 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.2 x 10-4 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 2.4 x 10-4 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.3 x 10-3 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.0 x 10-3 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-4 mol / l | Water unbuffered PH 5.93; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 371.35 | ||
| pka | 7.87 ± 0.43 | Temana herî acid: 25 ° C | (1) ACD |
| pka | 1.39 ± 0.10 | Temana herî bingehîn: 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 | 1.70 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 217.3 ± 7.0 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 | 6 | (1) ACD | |
| H qebûlkar | 10 | (1) ACD | |
| H Donors | 4 | (1) ACD | |
| H Donor / Qedexe | 14 | (1) ACD | |
| logp | 0.868 ± 0.577 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 371.35 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 143 A2 | (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 |
| H333 | Dibe ku zirarê bibîne heke bêxeber kirin | Pispor curated |
| H303 | Dibe ku zirarê bibîne | Pispor curated |
| H302 | Heke guhêrbar bibe zerar | Ajansa Kîmyewî ya Ewropî (Echa) Klasîkirina & Labeling - Klasîkirina Notified û Notification - Nîşaneyên herî gelemperî, Ajansa Kîmyewî ya Ewropî (Echa) |
Lîsteya Rêzdar: Ragihandin, TCSI
Agahdariya Karsaziya Bawer: Giştî
| Sînonolojiyên birêkûpêk | ||
| Adenosine, N-Benzoyl- | Bigihîjin, TCSI | - |
| N- {9 - [(2r, 3r, 4s, 5r) -3,4-dihydroxy-5- (hydroxymetethyl) Oxolan-2-yl] -9h-purin-6-yl} Benzamide | DAYIN | - |
| N6-Benzoyladenosine | DAYIN | - |
Details ji hêla welat / navneteweyî û navnîşên navnîşa welat / herêmên herêmê hene
Kurteya Yekîtiya Ewropî
Rewşa inventory li ser gihîştina navnîşa materyalên qeydkirî
https://elha.europa.eu/substance-information/-/substanceinfo/100.132.658
Hejmara Navnîşa Ragihandinê NO.: 610-251-3
Kurteya Taiwan
Rewşa Inventory li ser Hikûmeta Tcsi Taywanî ga
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