C15H21N5O6 guanosin, 2'-O-metyl-N- (2-metyl-1-oxopropyl)-(9ci, ACI)
| Viktiga fysiska egenskaper | Värde | Skick |
| Molekylvikt | 367.36 | - |
| Densitet (förutspådd) | 1,68 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr |
| PKA (förutspådd) | 9.16 ± 0,20 | Mest sura temp: 25 ° C |
Kanoniska leenden o = c1n = c (nc (= o) c (c) c) nc2 = c1n = cn2c3oc (co) c (o) c3oc
Isomera leenden 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
Tum
Tum = 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 -nyckel
Rpulcyxeyodqog-Apaijsegsa-n
2 andra namn för detta ämne
2′-O-Metyl-N-(2-metyl-1-oxopropyl) guanosin (ACI);N2-isobutyryl-2′-O-metylguanosin
Spektra tillgängligt
1H NMR
13C NMR
Massa
| Egenskaper tillgängliga |
| Biologisk |
| Kemisk |
| Densitet |
| Lipinski |
| Strukturrelaterad |
Biologisk
| Egendom | Värde | Skick | Källa |
| Biokoncentrationsfaktor | 1.0 | pH 1; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | ph 2; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 3; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 4; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 5; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 6; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 7; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 8; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 9; Temp: 25 ° C | (1) ACD |
| Biokoncentrationsfaktor | 1.0 | pH 10; Temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Kemisk
| Egendom | Värde | Skick | Källa |
| Koc | 2.12 | pH 1; Temp: 25 ° C | (1) ACD |
| Koc | 8.67 | ph 2; Temp: 25 ° C | (1) ACD |
| Koc | 12.6 | pH 3; Temp: 25 ° C | (1) ACD |
| Koc | 13.3 | pH 4; Temp: 25 ° C | (1) ACD |
| Koc | 13.3 | pH 5; Temp: 25 ° C | (1) ACD |
| Koc | 13.3 | pH 6; Temp: 25 ° C | (1) ACD |
| Koc | 13.2 | pH 7; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Koc | 12.5 | pH 8; Temp: 25 ° C | (1) ACD |
| Koc | 7.85 | pH 9; Temp: 25 ° C | (1) ACD |
| Koc | 1.76 | pH 10; Temp: 25 ° C | (1) ACD |
| logd | -1.26 | pH 1; Temp: 25 ° C | (1) ACD |
| logd | -0,65 | ph 2; Temp: 25 ° C | (1) ACD |
| logd | -0.49 | pH 3; Temp: 25 ° C | (1) ACD |
| logd | -0.47 | pH 4; Temp: 25 ° C | (1) ACD |
| logd | -0.46 | pH 5; Temp: 25 ° C | (1) ACD |
| logd | -0.46 | pH 6; Temp: 25 ° C | (1) ACD |
| logd | -0.47 | pH 7; Temp: 25 ° C | (1) ACD |
| logd | -0.49 | pH 8; Temp: 25 ° C | (1) ACD |
| logd | -0.69 | pH 9; Temp: 25 ° C | (1) ACD |
| logd | -1.34 | pH 10; Temp: 25 ° C | (1) ACD |
| inloggning | -0.464 ± 0,636 | Temp: 25 ° C | (1) ACD |
| Massa inneboende löslighet | 0,55 g/L | Temp: 25 ° C | (1) ACD |
| Masslöslighet | 3,5 g/L | pH 1; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,84 g/L | ph 2; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,59 g/L | pH 3; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,55 g/L | pH 4; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,55 g/L | pH 5; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,55 g/L | pH 6; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,55 g/L | pH 7; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,59 g/L | pH 8; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,96 g/L | pH 9; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 4,4 g/l | pH 10; Temp: 25 ° C | (1) ACD |
| Masslöslighet | 0,55 g/L | Obufferat vatten pH 6,00; Temp: 25 ° C | (1) ACD |
| Molar inre löslighet | 1,5 x 10-3 mol/l | Temp: 25 ° C | (1) ACD |
| Mollöslighet | 9,6 x 10-3 mol/l | pH 1; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,3 x 10-3 mol/l | ph 2; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,6 x 10-3 mol/l | pH 3; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,5 x 10-3 mol/l | pH 4; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,5 x 10-3 mol/l | pH 5; Temp: 25 ° C | (1) ACD |
| Egendom | Värde | Skick | Källa |
| Mollöslighet | 1,5 x 10-3 mol/l | pH 6; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,5 x 10-3 mol/l | pH 7; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,6 x 10-3 mol/l | pH 8; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 2,6 x 10-3 mol/l | pH 9; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 0,012 mol/l | pH 10; Temp: 25 ° C | (1) ACD |
| Mollöslighet | 1,5 x 10-3 mol/l | Obufferat vatten pH 6,00; Temp: 25 ° C | (1) ACD |
| Molekylvikt | 367.36 | ||
| pka | 9.16 ± 0,20 | Mest sura temp: 25 ° C | (1) ACD |
| pka | 1,73 ± 0,10 | Mest grundläggande temp: 25 ° C | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Densitet
| Egendom | Värde | Skick | Källa |
| Densitet | 1,68 ± 0,1 g/cm3 | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
| Molvolym | 217,6 ± 7,0 cm3/mol | Temp: 20 ° C; Press: 760 Torr | (1) ACD |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Egendom | Värde | Skick | Källa |
| Fritt roterbara bindningar | 6 | (1) ACD | |
| H acceptorer | 11 | (1) ACD | |
| H givare | 4 | (1) ACD | |
| H givare/acceptor summa | 15 | (1) ACD | |
| inloggning | -0.464 ± 0,636 | Temp: 25 ° C | (1) ACD |
| Molekylvikt | 367.36 |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Strukturrelaterad
| Egendom | Värde | Skick | Källa |
| Polär yta | 147 A2 | (1) ACD | |
(1) Beräknad med hjälp av Advanced Chemistry Development (ACD/LABS) Software V11.02 (© 1994-2023 ACD/LABS)
Spektra tillgängligt
1H NMR
Spektra tillgängligt
13C NMR
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