C15H21N5O6 Guanozin, 2′-O-methyl-N-(2-methyl-1-oxopropyl)- (9CI, ACI)
| Pwopriyete fizik kle yo | Valè | Kondisyon |
| Pwa molekilè | 367.36 | - |
| Dansite (Prevwa) | 1.68±0.1 g/cm3 | Tanperati: 20 °C; Press: 760 Torr |
| pKa (Prevwa) | 9.16±0.20 | Tanperati ki pi asid: 25 °C |
Canonical SMILES O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Isomerik SMILES O(C)[C@H]1[C@H](N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)O[ C@H](CO)[C@H]1O
InChI
InChI=1S/C15H21N5O6/c1-6(2)12(23)18-15-17-11-8(13(24)19-15)16-5-20(11)14-10(25-3) 9(22)7(4-21)26-14/h5-7,9-10,14,21- 22H,4H2,1-3H3,(H2,17,18,19,23,24)/t7-,9-,10-,14-/m1/s1
InChI kle
RPULCYXEYODQOG-AKAIJSEGSA-N
2 Lòt Non pou sibstans sa a
2′-O-Methyl-N-(2-methyl-1-oxopropyl) guanosine (ACI);N2-isobutyryl-2′-O-methylguanosine
Spectre ki disponib
1H RMN
13C RMN
Mass
| 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 | 2.12 | pH 1; Tanperati: 25 °C | (1) ACD |
| Koc | 8.67 | pH 2; Tanperati: 25 °C | (1) ACD |
| Koc | 12.6 | pH 3; Tanperati: 25 °C | (1) ACD |
| Koc | 13.3 | pH 4; Tanperati: 25 °C | (1) ACD |
| Koc | 13.3 | pH 5; Tanperati: 25 °C | (1) ACD |
| Koc | 13.3 | pH 6; Tanperati: 25 °C | (1) ACD |
| Koc | 13.2 | pH 7; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Koc | 12.5 | pH 8; Tanperati: 25 °C | (1) ACD |
| Koc | 7.85 | pH 9; Tanperati: 25 °C | (1) ACD |
| Koc | 1.76 | pH 10; Tanperati: 25 °C | (1) ACD |
| logD | -1.26 | pH 1; Tanperati: 25 °C | (1) ACD |
| logD | -0.65 | pH 2; Tanperati: 25 °C | (1) ACD |
| logD | -0.49 | pH 3; Tanperati: 25 °C | (1) ACD |
| logD | -0.47 | pH 4; Tanperati: 25 °C | (1) ACD |
| logD | -0.46 | pH 5; Tanperati: 25 °C | (1) ACD |
| logD | -0.46 | pH 6; Tanperati: 25 °C | (1) ACD |
| logD | -0.47 | pH 7; Tanperati: 25 °C | (1) ACD |
| logD | -0.49 | pH 8; Tanperati: 25 °C | (1) ACD |
| logD | -0.69 | pH 9; Tanperati: 25 °C | (1) ACD |
| logD | -1.34 | pH 10; Tanperati: 25 °C | (1) ACD |
| logP | -0.464±0.636 | Tanperati: 25 °C | (1) ACD |
| Mass Intrinsèque Solibilite | 0.55 g/L | Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 3.5 g/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.84 g/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.59 g/L | pH 3; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.55 g/L | pH 4; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.55 g/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.55 g/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.55 g/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.59 g/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.96 g/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 4.4 g/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite mas | 0.55 g/L | Dlo san tampon pH 6.00; Tanperati: 25 °C | (1) ACD |
| Solibilite intrinsèque molè | 1.5 x 10-3 mol/L | Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 9.6 x 10-3 mol/L | pH 1; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.3 x 10-3 mol/L | pH 2; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.6 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 | 1.5 x 10-3 mol/L | pH 5; Tanperati: 25 °C | (1) ACD |
| Pwopriyete | Valè | Kondisyon | Sous |
| Solibilite molè | 1.5 x 10-3 mol/L | pH 6; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.5 x 10-3 mol/L | pH 7; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.6 x 10-3 mol/L | pH 8; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 2.6 x 10-3 mol/L | pH 9; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 0.012 mol/L | pH 10; Tanperati: 25 °C | (1) ACD |
| Solibilite molè | 1.5 x 10-3 mol/L | Dlo san tampon pH 6.00; Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 367.36 | ||
| pKa | 9.16±0.20 | Tanperati ki pi asid: 25 °C | (1) ACD |
| pKa | 1.73±0.10 | 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 | 1.68±0.1 g/cm3 | Tanperati: 20 °C; Press: 760 Torr | (1) ACD |
| Volim molè | 217.6±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 | 6 | (1) ACD | |
| H Aseptè | 11 | (1) ACD | |
| H Donatè | 4 | (1) ACD | |
| H Sòm donatè/akseptè | 15 | (1) ACD | |
| logP | -0.464±0.636 | Tanperati: 25 °C | (1) ACD |
| Pwa molekilè | 367.36 |
(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 | 147 A2 | (1) ACD | |
(1) Kalkile avèk lojisyèl Devlopman Chimi Avanse (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Spectre ki disponib
1H RMN
Spectre ki disponib
13C RMN
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