![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-yon, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-yon, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI) Imaj ki prezante](https://cdn.globalso.com/nvchem/C30H28N2O7-6H-Furo.jpg)
C30H28N2O7 6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-yon, 2-[[bis(4-methoxy phenyl)phenylmethoxy]methyl]-2,3,3a ,9a-tetrahydro-3-hydroxy-, (2R,3R,3aS,9aR)- (9CI, ACI)
| Pwopriyete fizik kle | Valè | Kondisyon |
| Pwa molekilè | 528.55 | - |
| Pwen fizyon (eksperimantal) | 129.5-130 °C | - |
| Pwen bouyi (Prevwa) | 688.2±65.0 °C | Press: 760 Torr |
| Dansite (Prevwa) | 1.35±0.1 g/cm3 | Tanperati: 20 °C;Press: 760 Torr |
| pKa (Prevwa) | 12.51±0.40 | Tanperati ki pi asid: 25 °C |
Canonical SMILES O=C1N=C2OC3C(O)C(OC3N2C=C1)COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6
Isomerik SMILES C(OC[C@H]1O[C@@]2([C@]([C@@H]1O)(OC=3N2C=CC(=O)N3)[H])[H] )(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H28N2O7/c1-35-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(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, 24,26-28,34H,18H2,1-2H3/t24-,26-,27+,28-/m1/s1
InChI kle
OEIRLWHCGAICDW-AOGFTHLWSA-N
2 Lòt Non pou sibstans sa a
(2R,3R,3aS,9aR)-2-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a-tetrahydro-3-hydroxy-6H-furo[2′,3′:4 ,5] oxazolo [3,2-a] pirimidin-6-yon (ACI);6H-Furo[2′,3′:4,5]oxazolo[3,2-a]pirimidin-6-yon, 2-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3,3a,9a -
tetrahydro-3-hydroxy-, [2R-(2α,3β,3aβ,9aβ)]- (ZCI)
| Pwopriyete ki disponib |
| Tèmik |
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen k ap fonn | 129.5-130 °C | (1) CAS | |
(1) Szlenkier, Maurycy;Nukleozid, Nukleotid ak Asid Nukleik, (2016), 35 (8), 410-425, CAplus
| Spectre ki disponib |
| 1H RMN |
| 13C RMN |
| IR |
| Mass |
Pwopriyete Prevwa
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
| Tèmik |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1360 | pH 1;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1360 | pH 2;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1360 | pH 3;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1360 | pH 4;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1360 | pH 5;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1360 | pH 6;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1360 | pH 7;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1360 | pH 8;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1360 | pH 9;Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1350 | pH 10;Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Chimik
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 6080 | pH 1;Tanperati: 25 °C | (1) ACD |
| Koc | 6080 | pH 2;Tanperati: 25 °C | (1) ACD |
| Koc | 6080 | pH 3;Tanperati: 25 °C | (1) ACD |
| Koc | 6080 | pH 4;Tanperati: 25 °C | (1) ACD |
| Koc | 6080 | pH 5;Tanperati: 25 °C | (1) ACD |
| Koc | 6080 | pH 6;Tanperati: 25 °C | (1) ACD |
| Koc | 6080 | pH 7;Tanperati: 25 °C | (1) ACD |
| Koc | 6080 | pH 8;Tanperati: 25 °C | (1) ACD |
| Koc | 6070 | pH 9;Tanperati: 25 °C | (1) ACD |
| Koc | 6060 | pH 10;Tanperati: 25 °C | (1) ACD |
| logD | 4.42 | pH 1;Tanperati: 25 °C | (1) ACD |
| logD | 4.42 | pH 2;Tanperati: 25 °C | (1) ACD |
| logD | 4.42 | pH 3;Tanperati: 25 °C | (1) ACD |
| logD | 4.42 | pH 4;Tanperati: 25 °C | (1) ACD |
| logD | 4.42 | pH 5;Tanperati: 25 °C | (1) ACD |
| logD | 4.42 | pH 6;Tanperati: 25 °C | (1) ACD |
| logD | 4.42 | pH 7;Tanperati: 25 °C | (1) ACD |
| logD | 4.42 | pH 8;Tanperati: 25 °C | (1) ACD |
| logD | 4.42 | pH 9;Tanperati: 25 °C | (1) ACD |
| logD | 4.42 | pH 10;Tanperati: 25 °C | (1) ACD |
| logP | 4.424±0.618 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 5.8 x 10-4 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.8 x 10-4 g/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.8 x 10-4 g/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.8 x 10-4 g/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.8 x 10-4 g/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.8 x 10-4 g/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite mas | 5.8 x 10-4 g/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.8 x 10-4 g/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.8 x 10-4 g/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.8 x 10-4 g/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.8 x 10-4 g/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 5.8 x 10-4 g/L | Dlo san tampon pH 7.00;Tanperati: 25 °C | (1) ACD |
| Solibilite entrinsèk molè | 1.1 x 10-6 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-6 mol/L | pH 1;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-6 mol/L | pH 2;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-6 mol/L | pH 3;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-6 mol/L | pH 4;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-6 mol/L | pH 5;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-6 mol/L | pH 6;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-6 mol/L | pH 7;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-6 mol/L | pH 8;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-6 mol/L | pH 9;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-6 mol/L | pH 10;Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.1 x 10-6 mol/L | Dlo san tampon pH 7.00;Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 528.55 | ||
| pKa | 12.51±0.40 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | -4.70±0.60 | Tanperati ki pi fondamantal: 25 °C | (1) ACD |
| Presyon vapè | 6.91 x 10-20 Torr | Tanperati: 25 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dansite
| Pwopriyete | Valè | Kondisyon | Sous |
| Dansite | 1.35±0.1 g/cm3 | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
| Volim molè | 389.8±7.0 cm3/mol | Tanperati: 20 °C;Press: 760 Torr | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Pwopriyete | Valè | Kondisyon | Sous |
| Obligasyon ki ka vire lib | 9 | (1) ACD | |
| Pwopriyete | Valè | Kondisyon | Sous |
| H Aseptè | 9 | (1) ACD | |
| H Donatè | 1 | (1) ACD | |
| H Sòm donatè/akseptè | 10 | (1) ACD | |
| logP | 4.424±0.618 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 528.55 |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Pwopriyete | Valè | Kondisyon | Sous |
| Zòn Sifas Polè | 99.1 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen bouyi | 688.2±65.0 °C | Press: 760 Torr | (1) ACD |
| Entalpi nan Vaporizasyon | 105.96±3.0 kJ/mol | Press: 760 Torr | (1) ACD |
| Flash Point | 370.0±34.3 °C | (1) ACD |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
13C RMN
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