C15H21N5O6 Guanosien, 2'-O-metiel-N-(2-metiel-1-oksopropyl)- (9CI, ACI)
| Sleutel 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 | Mees suur Temp: 25 °C |
Kanoniese GLIMLAGE O=C1N=C(NC(=O)C(C)C)NC2=C1N=CN2C3OC(CO)C(O)C3OC
Isomere GLIMLAG 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
InChI
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-Metiel-N-(2-metiel-1-oksopropyl)guanosien (ACI);N2-isobutiriel-2′-O-metielguanosien
Spektra beskikbaar
1H KMR
13C KMR
Mis
| Eiendomme beskikbaar |
| Biologiese |
| Chemiese |
| 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)
Chemiese
| 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 | Mees suur Temp: 25 °C | (1) ACD |
| pKa | 1,73±0,10 | 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 | 1,68±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 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 | 6 | (1) ACD | |
| H Aanvaarders | 11 | (1) ACD | |
| H Skenkers | 4 | (1) ACD | |
| H Skenker/Aanvaarder Som | 15 | (1) ACD | |
| logP | -0,464±0,636 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 367,36 |
(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 | 147 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
Spektra beskikbaar
13C KMR
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