C17H25N5O7 Guanosine, 2′-O- (2-Methoxyethyl) -N- (2-methyl-1-oxopropyl)-(9CI, yon CI)
| Kle pwopriyete fizik | Valè | Kondisyon |
| Pwa molekilè | 411.41 | - |
| Pwen k ap fonn (eksperimantal) | 137-139.2 ° C | - |
| Dansite (prevwa) | 1.60 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr |
| PKA (prevwa) | 8.68 ± 0.20 | Pifò asid tanperati: 25 ° C |
Souri kanonyal o = c1n = c (nc (= o) c (c) c) nc2 = c1n = cn2c3oc (co) c (o) c3occoc
Isomeric bèl souri o = c1c2 = c (n (c = n2) [c@h] 3 [c@h] (oksok) [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) 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) guanosine (ACI)
| Pwopriyete ki disponib |
| Tèmik |
Tèmik
| Posesyon | Valè | Kondisyon | Sous |
| Pwen k ap fonn | 137-139.2 ° C | (1) Cas | |
(1) Taj, Shabbir Ali S; Nucleosides, Nucleotides & Nucleic Acids, (2008), 27 (9), 1024-1033, Caplus
Spèktr ki disponib
1H NMR
13c NMR
IR
| 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 | 1.0 | Ph 1; Tan: 25 ° C | (1) ACD |
| Ka | 1.01 | pH 2; Tan: 25 ° C | (1) ACD |
| Ka | 5.81 | pH 3; Tan: 25 ° C | (1) ACD |
| Ka | 11.4 | pH 4; Tan: 25 ° C | (1) ACD |
| Ka | 12.6 | pH 5; Tan: 25 ° C | (1) ACD |
| Ka | 12.7 | pH 6; Tan: 25 ° C | (1) ACD |
| Ka | 12.5 | pH 7; Tan: 25 ° C | (1) ACD |
| Ka | 10.6 | pH 8; Tan: 25 ° C | (1) ACD |
| Ka | 4.20 | pH 9; Tan: 25 ° C | (1) ACD |
| Ka | 1.0 | pH 10; Tan: 25 ° C | (1) ACD |
| Logd | -2.44 | Ph 1; Tan: 25 ° C | (1) ACD |
| Logd | -1.60 | pH 2; Tan: 25 ° C | (1) ACD |
| Logd | -0.84 | pH 3; Tan: 25 ° C | (1) ACD |
| Logd | -0.55 | pH 4; Tan: 25 ° C | (1) ACD |
| Logd | -0.50 | pH 5; Tan: 25 ° C | (1) ACD |
| Logd | -0.50 | pH 6; Tan: 25 ° C | (1) ACD |
| Logd | -0.51 | pH 7; Tan: 25 ° C | (1) ACD |
| Logd | -0.58 | pH 8; Tan: 25 ° C | (1) ACD |
| Logd | -0.98 | pH 9; Tan: 25 ° C | (1) ACD |
| Logd | -1.76 | pH 10; Tan: 25 ° C | (1) ACD |
| logp | -0.497 ± 0.633 | Tan: 25 ° C | (1) ACD |
| Mas solubilite intrinsèques | 0.58 g/l | Tan: 25 ° C | (1) ACD |
| Mas solubility | 49 g/l | Ph 1; Tan: 25 ° C | (1) ACD |
| Mas solubility | 7.0 g/l | pH 2; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.2 g/l | pH 3; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.62 g/l | pH 4; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.58 g/l | pH 5; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.58 g/l | pH 6; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.58 g/l | pH 7; Tan: 25 ° C | (1) ACD |
| Mas solubility | 0.70 g/l | pH 8; Tan: 25 ° C | (1) ACD |
| Mas solubility | 1.7 g/l | pH 9; Tan: 25 ° C | (1) ACD |
| Mas solubility | 10 g/l | pH 10; Tan: 25 ° C | (1) ACD |
| Posesyon | Valè | Kondisyon | Sous |
| Mas solubility | 0.58 g/l | PH dlo unbuffered 5.98; Tan: 25 ° C | (1) ACD |
| Molar intrinsèques solubility | 1.4 x 10-3 mol/l | Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.12 mol/L | Ph 1; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.017 mol/l | pH 2; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 3.0 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 | 1.4 x 10-3 mol/l | pH 5; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.4 x 10-3 mol/l | pH 6; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.4 x 10-3 mol/l | pH 7; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.7 x 10-3 mol/l | pH 8; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 4.2 x 10-3 mol/l | pH 9; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 0.025 mol/L | pH 10; Tan: 25 ° C | (1) ACD |
| Solubilite molè | 1.4 x 10-3 mol/l | PH dlo unbuffered 5.98; Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 411.41 | ||
| pka | 8.68 ± 0.20 | Pifò asid tanperati: 25 ° C | (1) ACD |
| pka | 3.05 ± 0.20 | 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 | 1.60 ± 0.1 g/cm3 | Tanperati: 20 ° C; Peze: 760 Torr | (1) ACD |
| Volim molè | 256.2 ± 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 | 9 | (1) ACD | |
| H akseptab | 12 | (1) ACD | |
| H donatè | 4 | (1) ACD | |
| H donatè/aksepte sòm | 16 | (1) ACD | |
| logp | -0.497 ± 0.633 | Tan: 25 ° C | (1) ACD |
| Pwa molekilè | 411.41 |
(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 | 157 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
13c NMR
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