C13H19N5O6 Guanosine, 2 ′ -O- (2-methoxyethyl)-(9Ci, ACI)
CAS -registernommer
473278-54-5
| Belangrike fisiese eienskappe | Waarde | Toestand |
| Molekulêre gewig | 341.32 | - |
| Kookpunt (voorspel) | 715,0 ± 70,0 ° C | Druk: 760 Torr |
| Digtheid (voorspel) | 1,81 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr |
| PKA (voorspel) | 13,20 ± 0,70 | Die meeste suur temp: 25 ° C |
Kanonieke glimlagte
O = c1n = c (n) nc2 = c1n = cn2c3oc (co) c (o) c3occoc
Isomeriese glimlagte
O (ccoc) [c@h] 1 [c @@ h] (o [c@h] (co) [c@h] 1o) n2c3 = c (n = c2) c (= o) n = c (n) n3
Duim
Inchi = 1s/c13h19n5o6/c1-22-2-3-23-9-8 (20) 6 (4-19) 24-12 (9) 18-5-15-7-10 (18) 16-13 (14) 17-11 (7) 21/h5-6,8-9,12,19-20H, 2-4H2,1H3, (H3, (H3, (H3, 14,16,17,21)/t6-, 8-, 9-, 12-/m1/s1
Inchi -sleutel
Dllbjslikokfhe-woukdfqisa-n
1 Ander naam vir hierdie stof
2 ′ -O-(2-methoxyethyl) guanosine (ACI)
Eiendom beskikbaar
Opties en verstrooi
Termies
| Eiendom | Waarde | Toestand | Bron |
| Optiese roterende krag | -51 deg-ml/g-dm | C: 1,4 g/100 ml; Oplosmiddel: dichloormetaan; λ: 589,3 nm; Temp: 25 ° C | (1) Cas |
| Optiese roterende krag | Sien volledige teks | (2) Cas |
(1) wen, ke; Journal of Organic Chemistry, (2002), 67 (22), 7887-7889, Caplus
(2) wen, ke; Journal of Organic Chemistry, (2002), 67 (22), 7887-7889, Caplus
| Eiendom | Waarde | Toestandbron |
| Smeltpunt | Sien volledige teks | (1) Cas |
(1) Taj, Shabbir Ali S.; Nukleosiede, nukleotiede en nukleïensure, (2008), 27 (9), 1024-1033, caplus
Spektra beskikbaar
1 H NMR
13 C NMR
IR
Eiendom beskikbaar
Biologies
Chemies
Digtheid
Lipinski
Struktuurverwant
Termies
| 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 |
| Eiendom | Waarde | Toestand | Bron |
| 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)
| Eiendom | Waarde | Toestand | Bron |
| KOC | 1.0 | Ph 1; Temp: 25 ° C | (1) ACD |
| KOC | 1.0 | Ph 2; Temp: 25 ° C | (1) ACD |
| KOC | 4.27 | Ph 3; Temp: 25 ° C | (1) ACD |
| KOC | 8.49 | Ph 4; Temp: 25 ° C | (1) ACD |
| KOC | 9.43 | Ph 5; Temp: 25 ° C | (1) ACD |
| KOC | 9.54 | Ph 6; Temp: 25 ° C | (1) ACD |
| KOC | 9.55 | Ph 7; Temp: 25 ° C | (1) ACD |
| KOC | 9.55 | Ph 8; Temp: 25 ° C | (1) ACD |
| KOC | 9.55 | Ph 9; Temp: 25 ° C | (1) ACD |
| KOC | 9.54 | Ph 10; Temp: 25 ° C | (1) ACD |
| logd | -2.65 | Ph 1; Temp: 25 ° C | (1) ACD |
| logd | -1.84 | Ph 2; Temp: 25 ° C | (1) ACD |
| logd | -1.08 | Ph 3; Temp: 25 ° C | (1) ACD |
| logd | -0.78 | Ph 4; Temp: 25 ° C | (1) ACD |
| logd | -0.74 | Ph 5; Temp: 25 ° C | (1) ACD |
| logd | -0.73 | Ph 6; Temp: 25 ° C | (1) ACD |
| logd | -0.73 | Ph 7; Temp: 25 ° C | (1) ACD |
| logd | -0.73 | Ph 8; Temp: 25 ° C | (1) ACD |
| logd | -0.73 | Ph 9; Temp: 25 ° C | (1) ACD |
| logd | -0.73 | Ph 10; Temp: 25 ° C | (1) ACD |
| logp | -0.730 ± 0.568 | Temp: 25 ° C | (1) ACD |
| Massa intrinsieke oplosbaarheid | 0,44 g/l | Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 38 g/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 5,5 g/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Eiendom | Waarde | Toestand | Bron |
| Massa -oplosbaarheid | 0,96 g/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,48 g/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,44 g/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,44 g/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,44 g/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,44 g/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,44 g/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,44 g/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Massa -oplosbaarheid | 0,44 g/l | Ongebufferde water pH 7,20; Temp: 25 ° C | (1) ACD |
| Molêre intrinsieke oplosbaarheid | 1,3 x 10-3 mol/l | Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 0.11 mol/l | Ph 1; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 0,016 mol/l | Ph 2; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 2,8 x 10-3 mol/l | Ph 3; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,4 x 10-3 mol/l | Ph 4; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,3 x 10-3 mol/l | Ph 5; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,3 x 10-3 mol/l | Ph 6; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,3 x 10-3 mol/l | Ph 7; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,3 x 10-3 mol/l | Ph 8; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,3 x 10-3 mol/l | Ph 9; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,3 x 10-3 mol/l | Ph 10; Temp: 25 ° C | (1) ACD |
| Molêre oplosbaarheid | 1,3 x 10-3 mol/l | Ongebufferde water pH 7,20; Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 341.32 | ||
| pka | 13,20 ± 0,70 | Die meeste suur temp: 25 ° C | (1) ACD |
| pka | 3,00 ± 0,20 | Die meeste basiese temp: 25 ° C | (1) ACD |
| Dampdruk | 1,86 x 10-21 Torr | Temp: 25 ° C | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestand | Bron |
| Digtheid | 1,81 ± 0,1 g/cm3 | Temp: 20 ° C; Druk: 760 Torr | (1) ACD |
| Molêre volume | 188,5 ± 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)
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare bindings | 8 | (1) ACD | |
| H Acceptors | 11 | (1) ACD | |
| H -donateurs | 5 | (1) ACD | |
| H Skenker/Acceptor Sum | 16 | (1) ACD | |
| logp | -0.730 ± 0.568 | Temp: 25 ° C | (1) ACD |
| Molekulêre gewig | 341.32 |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestandbron |
| Pooloppervlakte | 153 A2 | (1) ACD |
(1) Bereken met behulp van gevorderde chemie-ontwikkeling (ACD/labs) sagteware v11.02 (© 1994-2023 ACD/LABS)
| Eiendom | Waarde | Toestand | Bron |
| Kookpunt | 715,0 ± 70,0 ° C | Druk: 760 Torr | (1) ACD |
| Entalpie van verdamping | 109,72 ± 3,0 kJ/mol | Druk: 760 Torr | (1) ACD |
| Flitspunt | 386,2 ± 35,7 ° C | (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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