C13H19N5O6 Guanosien, 2'-O-(2-metoksiediel)- (9CI, ACI)
CAS-registernommer
473278-54-5
| Sleutel 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 | Mees suur Temp: 25 °C |
Kanoniese GLIMLAGE
O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC
Isomeriese GLIMLAGE
O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C3=C(N=C2)C(=O)N=C( N)N3
InChI
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, 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)
Eiendomme beskikbaar
Opties en verstrooiing
Termies
| Eiendom | Waarde | Toestand | Bron |
| Optiese roterende krag | -51 grade-ml/g-dm | c: 1,4 g/100ml;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 | Toestand Bron |
| Smeltpunt | Sien volledige teks | (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
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 deur gebruik te maak van Advanced Chemistry Development (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 | Mees suur Temp: 25 °C | (1) ACD |
| pKa | 3,00±0,20 | Mees Basiese Temp: 25 °C | (1) ACD |
| Dampdruk | 1,86 x 10-21 Torr | Temp: 25 °C | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (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 deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
| Eiendom | Waarde | Toestand | Bron |
| Vrylik draaibare verbande | 8 | (1) ACD | |
| H Aanvaarders | 11 | (1) ACD | |
| H Skenkers | 5 | (1) ACD | |
| H Skenker/Aanvaarder Som | 16 | (1) ACD | |
| logP | -0,730±0,568 | Temp: 25 °C | (1) ACD |
| Molekulêre gewig | 341,32 |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (ACD/Labs) Sagteware V11.02 (© 1994-2023 ACD/Labs)
| Eiendom | Waarde | Toestand Bron |
| Polêre Oppervlakte | 153 A2 | (1) ACD |
(1) Bereken deur gebruik te maak van Advanced Chemistry Development (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 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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