![C30h28N2O7 6H-Furo [2 ', 3': 4,5] Pyrimidin-6 - Yek (4-Methoxy Phenyl) PhenyLmethoxy] Aci)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
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C30h28N2O7 6H-Furo [2 ', 3': 4,5] Pyrimidin-6 - Yek (4-Methoxy Phenyl) PhenyLmethoxy] Aci)
| Taybetmendiyên fîzîkî yên sereke | Giranî | Rewş |
| Giraniya molekul | 528.55 | - |
| Melting Point (ceribandin) | 129.5-130 ° C | - |
| Point Point (texmîn kirin) | 688.2 ± 65.0 ° C | Pressapkirin: 760 Torr |
| Dendik (texmîn kirin) | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr |
| PKA (texmîn kirin) | 12.51 ± 0.40 | Temana herî acid: 25 ° C |
Canonical Smiles O = C1N = C2OC3C (O) C (OC3N2C = C1) 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 / c30h28n2o7 / c1-20 (9-13-4-3-5-7-19,21-10-14-23 (36-2) 15-11-21) 37-18-24-26 (34) 27-28 (38-24) 32-17- 16-25 (33) 31-29 (32) 39-27 / H3-17,24,26-28,24,26-28,24h, 18h2,1-2h3 / T24-, 26-, 27 +, 28- / M1 / S1
Keyeya Inchi
OeiRLWhcGAIcDw-aoGfthlwsa-N
2 navên din ên ji bo vê madeyê
(2r, 3r, 3as, 9ar) -2 - [[Bis (4-metoxyphenyl) PhenyLmethoxy]] Methyl] -2,2,3,3a [2 ', 3': 4,5] Oxazido [3,2-a] Pyrimidin-6-yek (ACI); 6h-Furo [2 ', 3': 4,5] Oxazolo [3,2-a] Pyrimidin-6 - Yek, 2 - [[Bis (4-metoxyphenyl) Phenylmethoxy]] Methyl] -2,2,3,3a, 9A-
tetrahydro-3-hîdroxy-, [2r- (2α, 3β, 3aβ, 9aβ)] - (ZCI)
| Taybetmendiyên berdest |
| Thermal |
Thermal
| Mal | Giranî | Rewş | Kanî |
| Xala melting | 129.5-130 ° C | (1) cas | |
(1) Szlenkier, MauryCy; Nucleosides, Nucleotides & Nucleic Acid, (2016), 35 (8), 410-425, CA CA CA CA CA CA CA CA CA CA CA CA CACLUS
| Spectra peyda dibe |
| 1h nmr |
| 13C nmr |
| IR |
| Gel |
Taybetmendiyên texmîn kirin
| Taybetmendiyên berdest |
| Bedirî |
| Şîmyakî |
| Dendetî |
| Lipinski |
| Struktura têkildar |
| Thermal |
Bedirî
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 1360 | PH 1; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1360 | PH 2; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1360 | PH 3; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1360 | PH 4; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1360 | PH 5; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1360 | PH 6; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1360 | PH 7; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Faktora BioconCentration | 1360 | PH 8; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1360 | PH 9; Temp: 25 ° C | (1) ACD |
| Faktora BioconCentration | 1350 | 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 | 6080 | PH 1; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 2; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 3; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 4; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 5; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 6; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 7; Temp: 25 ° C | (1) ACD |
| Koc | 6080 | PH 8; Temp: 25 ° C | (1) ACD |
| Koc | 6070 | PH 9; Temp: 25 ° C | (1) ACD |
| Koc | 6060 | PH 10; Temp: 25 ° C | (1) ACD |
| logd | 4.42 | PH 1; Temp: 25 ° C | (1) ACD |
| logd | 4.42 | PH 2; Temp: 25 ° C | (1) ACD |
| logd | 4.42 | PH 3; Temp: 25 ° C | (1) ACD |
| logd | 4.42 | PH 4; Temp: 25 ° C | (1) ACD |
| logd | 4.42 | PH 5; Temp: 25 ° C | (1) ACD |
| logd | 4.42 | PH 6; Temp: 25 ° C | (1) ACD |
| logd | 4.42 | PH 7; Temp: 25 ° C | (1) ACD |
| logd | 4.42 | PH 8; Temp: 25 ° C | (1) ACD |
| logd | 4.42 | PH 9; Temp: 25 ° C | (1) ACD |
| logd | 4.42 | PH 10; Temp: 25 ° C | (1) ACD |
| logp | 4.424 ± 0.618 | Temp: 25 ° C | (1) ACD |
| Solubilityê dorpêçkirî ya girseyî | 5.8 x 10-4 g / l | Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.8 x 10-4 g / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.8 x 10-4 g / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.8 x 10-4 g / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.8 x 10-4 g / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.8 x 10-4 g / l | PH 5; Temp: 25 ° C | (1) ACD |
| Mal | Giranî | Rewş | Kanî |
| Solubility girseyî | 5.8 x 10-4 g / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.8 x 10-4 g / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.8 x 10-4 g / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.8 x 10-4 g / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.8 x 10-4 g / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility girseyî | 5.8 x 10-4 g / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Solubility ya hundurîn a molar | 1.1 x 10-6 mol / l | Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-6 mol / l | PH 1; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-6 mol / l | PH 2; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-6 mol / l | PH 3; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-6 mol / l | PH 4; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-6 mol / l | PH 5; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-6 mol / l | PH 6; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-6 mol / l | PH 7; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-6 mol / l | PH 8; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-6 mol / l | PH 9; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-6 mol / l | PH 10; Temp: 25 ° C | (1) ACD |
| Solubility molar | 1.1 x 10-6 mol / l | Wateriyayê Unbuffered PH 7.00; Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 528.55 | ||
| pka | 12.51 ± 0.40 | Temana herî acid: 25 ° C | (1) ACD |
| pka | -4.70 ± 0.60 | Temana herî bingehîn: 25 ° C | (1) ACD |
| Zexta vapor | 6.91 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 | 1.35 ± 0.1 g / cm3 | Temp: 20 ° C; Pressapkirin: 760 Torr | (1) ACD |
| Molar Volume | 389.8 ± 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 | |
| Mal | Giranî | Rewş | Kanî |
| H qebûlkar | 9 | (1) ACD | |
| H Donors | 1 | (1) ACD | |
| H Donor / Qedexe | 10 | (1) ACD | |
| logp | 4.424 ± 0.618 | Temp: 25 ° C | (1) ACD |
| Giraniya molekul | 528.55 |
(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 | 688.2 ± 65.0 ° C | Pressapkirin: 760 Torr | (1) ACD |
| Enthalpy ya vaporîzasyonê | 105.96 ± 3.0 KJ / MOL | Pressapkirin: 760 Torr | (1) ACD |
| Point Point | 370.0 ± 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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