C15H21N5O6 guanosine, 2′-O-metiel-N- (2-metiel-1-oksopropyl)-(9ci, ACI)
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 367.36 | - |
| Digtheid (voorspel) | 1,68 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 9.16 ± 0.20 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte o = c1n = c (nc (= o) c (c) c) nc2 = c1n = cn2c3oc (co) c (o) c3oc
Isomeriese glimlagte 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
Duim
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 -sleutel
Rpulcyxeyodqog-akaijsegsa-n
2 ander name vir hierdie stof
2′-O-Methyl-N-(2-metiel-1-oksopropyl) guanosien (ACI);N2-isobutyryl-2′-O-methylguanosine
Spektra beskikbaar
1H NMR
13C NMR
Massa
| Eiendom beskikbaar |
| Biologies |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
Biologies
| Eiendom | Waarde | Toestand | Bron |
| Biokonsentrasiefaktor | 1.0 | Ph 1; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 2; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 3; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 4; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 5; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 6; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 7; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 8; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 9; Temp: 25 ° C | (1) ACD |
| Biokonsentrasiefaktor | 1.0 | Ph 10; Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Chemies
| Eiendom | Waarde | Toestand | Bron |
| 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 |
| Eiendom | Waarde | Toestand | Bron |
| 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 |
| logp | -0.464 ± 0.636 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 0,55 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 3,5 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,84 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,59 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,55 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,55 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,55 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,55 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,59 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,96 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 4.4 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,55 g/l | Ongebufferde water pH 6,00; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 1,5 x 10-3 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 9,6 x 10-3 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,3 x 10-3 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,6 x 10-3 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,5 x 10-3 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,5 x 10-3 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Molêre oplosbaarheid | 1,5 x 10-3 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,5 x 10-3 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,6 x 10-3 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,6 x 10-3 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 0,012 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,5 x 10-3 mol/l | Ongebufferde water pH 6,00; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 367.36 | ||
| pka | 9.16 ± 0.20 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | 1,73 ± 0,10 | Die meeste basiese temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Digtheid
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,68 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 217,6 ± 7,0 cm3/mol | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 6 | (1) ACD | |
| H Acceptors | 11 | (1) ACD | |
| H -donateurs | 4 | (1) ACD | |
| H Skenker/Acceptor Sum | 15 | (1) ACD | |
| logp | -0.464 ± 0.636 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 367.36 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Pooloppervlakte | 147 A2 | (1) ACD | |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Spektra beskikbaar
1H NMR
Spektra beskikbaar
13C NMR
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