C15H21N5O6 guanosine, 2′-O-methyl-n- (2-methyl-1-oxopropyl)-(9CI, ACI)
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 367.36 | - |
| Dansite (prevwa) | 1.68 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 9.16 ± 0.20 | Pifò asid tanperati: 25 ° C |
Souri kanonyal o = c1n = c (nc (= o) c (c) c) nc2 = c1n = cn2c3oc (co) c (o) c3oC
Isomeric 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-paijsegsa-n
2 Lòt non pou sibstans sa a
2′-O-Metil-N-(2-methyl-1-oxopropyl) guanosine (ACI);N2-isobutyryl-2′-O-Methylguanosine
Spèktr ki disponib
1H NMR
13c NMR
Mas
| Pwopriyete ki disponib |
| Biolojik |
| Chimik |
| Densite |
| Lipinski |
| Estrikti ki gen rapò |
Biolojik
| Posesyon | Valè | Kondisyon | Sous |
| Faktè bioconcentration | 1.0 | Ph 1; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 2; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 3; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 4; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 5; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 6; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 7; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 8; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 9; Tan: 25 ° C | (1) ACD |
| Faktè bioconcentration | 1.0 | pH 10; Tan: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Chimik
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 2.12 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 8.67 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 12.6 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 13.3 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 13.3 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 13.3 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 13.2 | pH 7; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Ka | 12.5 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 7.85 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 1.76 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | -1.26 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | -0.65 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | -0.49 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | -0.47 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | -0.46 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | -0.46 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | -0.47 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | -0.49 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | -0.69 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | -1.34 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | -0.464 ± 0.636 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 0.55 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 3.5 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.84 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.59 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.55 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.55 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.55 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.55 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.59 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.96 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 4.4 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.55 g/l | PH dlo unbuffered 6.00; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 1.5 x 10-3 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 9.6 x 10-3 mol/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.3 x 10-3 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.6 x 10-3 mol/l | pH 3; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.5 x 10-3 mol/l | pH 4; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.5 x 10-3 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Solubilite molè | 1.5 x 10-3 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.5 x 10-3 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.6 x 10-3 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 2.6 x 10-3 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.012 mol/L | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.5 x 10-3 mol/l | PH dlo unbuffered 6.00; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 367.36 | ||
| pka | 9.16 ± 0.20 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | 1.73 ± 0.10 | Pifò debaz tanperati: 25 ° C | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Densite
| Posesyon | Valè | Kondisyon | Sous |
| Densite | 1.68 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 217.6 ± 7.0 cm3/mol | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Posesyon | Valè | Kondisyon | Sous |
| Lib lib wotasyon | 6 | (1) ACD | |
| H akseptab | 11 | (1) ACD | |
| H donatè | 4 | (1) ACD | |
| H donatè/aksepte sòm | 15 | (1) ACD | |
| logp | -0.464 ± 0.636 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 367.36 |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Estrikti ki gen rapò
| Posesyon | Valè | Kondisyon | Sous |
| Zòn sifas polè | 147 A2 | (1) ACD | |
(1) Kalkile lè l sèvi avèk avanse Chimi Devlopman (ACD/Labs) lojisyèl v11.02 (© 1994-2023 ACD/Labs)
Spèktr ki disponib
1H NMR
Spèktr ki disponib
13c NMR
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