C17H25N5O7 Guanosien, 2'-O-(2-metoksietiel)-N-(2-metiel-1-oksopropyl)- (9CI, A CI)
| Sleutel 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 | Mees suur Temp: 25 °C |
Kanoniese GLIMLAG O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomeriese GLIMLAG 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
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)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-UBEDBUPSSA-N
1 Ander naam vir hierdie stof
2'-O-(2-Metoksietiel)-N-(2-metiel-1-oksopropyl)guanosien (ACI)
| Eiendomme 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 KMR
13C KMR
IR
| Eiendomme beskikbaar |
| Biologiese |
| Chemies |
| Digtheid |
| Lipinski |
| Struktuurverwant |
Biologiese
| 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 deur gebruik te maak van Advanced Chemistry Development (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 | Mees suur Temp: 25 °C | (1) ACD |
| pKa | 3,05±0,20 | Mees Basiese Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (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 deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Lipinski
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare verbande | 9 | (1) ACD | |
| H Aanvaarders | 12 | (1) ACD | |
| H Skenkers | 4 | (1) ACD | |
| H Skenker/Aanvaarder Som | 16 | (1) ACD | |
| logP | -0,497±0,633 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 411,41 |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Struktuurverwant
| Eiendom | Waarde | Toestand | Bron |
| Polêre Oppervlakte | 157 A2 | (1) ACD | |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
Spektra beskikbaar
1H KMR
13C KMR
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