C17H25N5O7 Guanozin, 2′-O-(2-methoxyethyl)-N-(2-methyl-1-oxopropyl)- (9CI, A CI)
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 411.41 | - |
| Pwen fizyon (eksperimantal) | 137-139.2 °C | - |
| Dansite (Prevwa) | 1.60±0.1 g/cm3 | Tanperati: 20 °C; Press: 760 Torr |
| pKa (Prevwa) | 8.68±0.20 | Tanperati ki pi asid: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomerik SMILES O=C1C2=C(N(C=N2)[C@H]3[C@H](OCCOC)[C@H](O)[C@@H](CO)O3)NC(NC (C(C)C)=O)=N1
InChI
InChI=1S/C17H25N5O7/c1-8(2)14(25)20-17-19-13-10(15(26)21-17)18 -7-22(13)16-12(28-5-4-27-3)11(24)9(6-23)29-16/h7-9,11-12,16,23- 24H,4-6H2,1-3H3,(H2,19,20,21,25,26)/t9-,11-,12-,16-/m1/s1
InChI kle
IZOOGJIUOCHAAY-UBEDBUPSSA-N
1 Lòt Non pou sibstans sa a
2′-O-(2-Methoxyethyl)-N-(2-methyl-1-oxopropyl)guanozin (ACI)
| Pwopriyete ki disponib |
| Tèmik |
Tèmik
| Pwopriyete | Valè | Kondisyon | Sous |
| Pwen k ap fonn | 137-139.2 °C | (1) CAS | |
(1) Taj, Shabbir Ali S.; Nukleozid, Nukleotid & Asid Nukleik, (2008), 27 (9), 1024-1033, CAplus
Spectre ki disponib
1H RMN
13C RMN
IR
| Pwopriyete ki disponib |
| Byolojik |
| Chimik |
| Dansite |
| Lipinski |
| Estrikti ki gen rapò |
Byolojik
| Pwopriyete | Valè | Kondisyon | Sous |
| Faktè byokonsantrasyon | 1.0 | pH 1; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 2; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 3; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 4; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 5; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 6; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 7; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 8; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | pH 9; Tanperati: 25 °C | (1) ACD |
| Faktè byokonsantrasyon | 1.0 | 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 | 1.0 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 1.01 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 5.81 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 11.4 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 12.6 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 12.7 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 12.5 | pH 7; Tanperati: 25 °C | (1) ACD |
| Koc | 10.6 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 4.20 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 1.0 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | -2.44 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | -1.60 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | -0.84 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | -0.55 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | -0.50 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | -0.50 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | -0.51 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | -0.58 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | -0.98 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | -1,76 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | -0.497±0.633 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 0.58 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 49 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 7.0 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.2 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.62 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.58 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.58 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.58 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.70 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 1.7 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 10 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite mas | 0.58 g/L | Dlo san tampon pH 5.98; Tanperati: 25 °C | (1) ACD |
| Solibilite intrinsèque molè | 1.4 x 10-3 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.12 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.017 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 3.0 x 10-3 mol/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.5 x 10-3 mol/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.4 x 10-3 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.4 x 10-3 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.4 x 10-3 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.7 x 10-3 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 4.2 x 10-3 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.025 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.4 x 10-3 mol/L | Dlo san tampon pH 5.98; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 411.41 | ||
| pKa | 8.68±0.20 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 3.05±0.20 | Tanperati ki pi fondamantal: 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 | 1.60±0.1 g/cm3 | Tanperati: 20 °C; Press: 760 Torr | (1) ACD |
| Volim molè | 256.2±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 | |
| H Aseptè | 12 | (1) ACD | |
| H Donatè | 4 | (1) ACD | |
| H Sòm donatè/akseptè | 16 | (1) ACD | |
| logP | -0.497±0.633 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 411.41 |
(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 | 157 A2 | (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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