![C31h30n2o7 6h-furo [2 ', 3': 4,5] pyrimidin-6 - yek (4-meto (4-meto) -2,2,3,2a, 9a-tetrahydro-3- methyl-, (2r, 3r, 3as, 9ar) - (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C31h30n2o7 6h-furo [2 ', 3': 4,5] pyrimidin-6 - yek (4-meto (4-meto) -2,2,3,2a, 9a-tetrahydro-3- methyl-, (2r, 3r, 3as, 9ar) - (9ci, ACI) Wêneyê Taybet](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo.jpg)
C31h30n2o7 6h-furo [2 ', 3': 4,5] pyrimidin-6 - yek (4-meto (4-meto) -2,2,3,2a, 9a-tetrahydro-3- methyl-, (2r, 3r, 3as, 9ar) - (9ci, ACI)
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 542.58 | - |
| Point Point (texmîn kirin) | 692.9 ± 65.0 ° C | Pressapkirin: 760 Torr |
| Dendik (texmîn kirin) | 1.33 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 12.51 ± 0.60 | Temana herî acid: 25 ° C |
Canonical Smiles O = C1N = C2OC3C (O) C (OC3N2C = CCOC) COC (C5 = cc = C (OC) C5) C6 = CC = C (OC) C6 = C6
Isomeric smiles c (oc [c @ h] 1o [c @@] 1o) (oc = 3n2c = c = c4) (c5 = cc = c = c5) c6 = cc = cc = c6
Inchi
Inchi = 1s / c31h30n2o7 / c1-19-17-33-30 (33) 32-28 (19) 35) 26 (34) 25 (34-29) 18-38-5-4-6-8-20,21-9-13-23 (36-21) 14-10-21
) 22-11-15-24 (37-3) 16-12-22 / H4-17,25-27,29,34h, 18h2,1-3h3 / T25-, 26-, 27 +, 2- / M1 / S1
Keyeya Inchi
BqEQCEzNLiKSSH-Cithkvlssa-N
1 navê din ji bo vê madeyê
(2r, 3r, 3as, 9ar) -2 - [[Bis (4-metoxyphenyl) Phenylmethoxy]] Methyl] -2,2,3,3a, 9A-3 ': 4,5] Oxazido [3,2-a]
Spectra peyda dibe
1h nmr
13C nmr
Gel
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
| Thermal |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 2800 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2800 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2800 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2800 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2800 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2800 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2800 | PH 7; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2800 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2800 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 2790 | 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 | 10200 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 5; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Koc | 10200 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 10200 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 4.84 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 4.839 ± 0.618 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 3.6 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.6 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.6 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.6 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.6 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.6 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.6 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.6 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.6 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.6 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.6 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 3.6 x 10-4 g / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 6.6 x 10-7 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.6 x 10-7 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.6 x 10-7 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.6 x 10-7 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility molar | 6.6 x 10-7 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.6 x 10-7 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.6 x 10-7 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.6 x 10-7 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.6 x 10-7 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.6 x 10-7 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.7 x 10-7 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 6.6 x 10-7 mol / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 542.58 | ||
| pka | 12.51 ± 0.60 | Temana herî acid: 25 ° C | (1) ACD |
| pka | -4.38 ± 0.60 | Temana herî bingehîn: 25 ° C | (1) ACD |
| Zexta vapor | 3.73 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 | 1.33 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 404.9 ± 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 | 9 | (1) ACD | |
| H qebûlkar | 9 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qedexe | 10 | (1) ACD | |
| logp | 4.839 ± 0.618 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 542.58 |
(1) Bi karanîna Pêşkeftina Kîmolojiya Pêşkeftî (ACD / Labs) Nermalav v11.02 (© 1994-2023 ACD / Labs)
Struktura têkildar
| Mal | Giranî | Rewş | Kanî |
| Qada pola polar | 99.1 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 | 692.9 ± 65.0 ° C | Pressapkirin: 760 Torr | (1) ACD |
| Enthalpy ya vaporîzasyonê | 106.61 ± 3.0 Kj / Mol | Pressapkirin: 760 Torr | (1) ACD |
| Point Point | 372.8 ± 34.3 ° 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
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