C17H25N5O7 Guanosine, 2′-O- (2-methoxyethyl) -N- (2-metiel-1-oksopropyl)-(9Ci, A CI)
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 411.41 | - |
| Smeltpunt (eksperimenteel) | 137-139.2 ° C | - |
| Digtheid (voorspel) | 1,60 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 8,68 ± 0,20 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte o = c1n = c (nc (= o) c (c) c) nc2 = c1n = cn2c3oc (co) c (o) c3occoc
Isomeriese glimlagte o = c1c2 = c (n (c = n2) [c@h] 3 [c@h] (occoc) [c@h] (o) [c @@ h] (co) o3) nc (nc (c (c) c) = o) = n1
Duim
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) 9 (6-23) 29-16/H7-9,11-12,16,23- 24H, 4-6H2,1-3H3, (H2,19,20,21,25,26)/T9-, 11-, 12-, 16-/m1/S1
Inchi -sleutel
Izoogjiuochaay-ubupssa-n
1 Ander naam vir hierdie stof
2′-O- (2-methoxyethyl) -n- (2-metiel-1-oksopropyl) guanosien (ACI)
| Eiendom beskikbaar |
| Termies |
Termies
| Eiendom | Waarde | Toestand | Bron |
| Smeltpunt | 137-139.2 ° C | (1) Cas | |
(1) Taj, Shabbir Ali S.; Nukleosiede, nukleotiede en nukleïensure, (2008), 27 (9), 1024-1033, caplus
Spektra beskikbaar
1H NMR
13C NMR
IR
| 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 | 1.0 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 1.01 | Ph 2; Temp: 25 ° C | (1) ACD |
| KOC | 5.81 | Ph 3; Temp: 25 ° C | (1) ACD |
| KOC | 11.4 | Ph 4; Temp: 25 ° C | (1) ACD |
| KOC | 12.6 | Ph 5; Temp: 25 ° C | (1) ACD |
| KOC | 12.7 | Ph 6; Temp: 25 ° C | (1) ACD |
| KOC | 12.5 | Ph 7; Temp: 25 ° C | (1) ACD |
| KOC | 10.6 | Ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 4.20 | Ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 1.0 | Ph 10; Temp: 25 ° C | (1) ACD |
| logd | -2.44 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | -1.60 | Ph 2; Temp: 25 ° C | (1) ACD |
| logd | -0.84 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | -0.55 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | -0.50 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | -0.50 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | -0.51 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | -0.58 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | -0.98 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | -1.76 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | -0.497 ± 0.633 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 0,58 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 49 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 7,0 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,2 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,62 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,58 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,58 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,58 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,70 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 1,7 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 10 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Massa -oplosbaarheid | 0,58 g/l | Ongebufferde water pH 5,98; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 1,4 x 10-3 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 0,12 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 0,017 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 3.0 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 | 1,4 x 10-3 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-3 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-3 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,7 x 10-3 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 4.2 x 10-3 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 0,025 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-3 mol/l | Ongebufferde water pH 5,98; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 411.41 | ||
| pka | 8,68 ± 0,20 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | 3,05 ± 0,20 | 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 | 1,60 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 256,2 ± 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 | 9 | (1) ACD | |
| H Acceptors | 12 | (1) ACD | |
| H -donateurs | 4 | (1) ACD | |
| H Skenker/Acceptor Sum | 16 | (1) ACD | |
| logp | -0.497 ± 0.633 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 411.41 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Pooloppervlakte | 157 A2 | (1) ACD | |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
Spektra beskikbaar
1H NMR
13C NMR
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