C13H19N5O5 Adenosine, 2′ -O-(2-methoxyethyl)- (9CI, ACI)
Rhif Cofrestrfa CAS
168427-74-5
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 325.32 | - |
| Berwbwynt (Rhagweld) | 639.0±65.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagweld) | 1.70 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr |
| pKa (Rhagweld) | 13.12±0.70 | Tymheredd Mwyaf Asidig: 25 °C |
GWênau Canonaidd
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OCCOC)C1O
Gwênau Isomerig
O(CCOC)[C@H]1[C@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(N)N=CN3
InChI
InChI= 1S/C13H19N5O5/c1-21-2-3-22-10-9(20)7(4-19)23-13(10)18-6-17-8-11(14)15-5- 16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H2,14,15,16)/t7-,9-,10-,13-/ m1/s1
Allwedd InChI
PUDXUJRJLRLJIU-QYVSTXNMSA-N
1 Enw Arall ar y Sylwedd hwn
2′ -O-(2-Methoxyethyl)adenosine (ACI)
Sbectra ar gael
1 H NMR
13 C NMR
Eiddo ar gael
Biolegol
Cemegol
Dwysedd
Lipinski
Strwythur Cysylltiedig
Thermol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.0 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.18 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.31 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.32 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.32 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.32 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.32 | pH 10; Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 1.0 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 1.0 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 3.39 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 19.4 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 38.0 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 42.0 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 42.5 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 42.5 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 42.5 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 42.5 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | -1.94 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | -1.48 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | -0.64 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 0.12 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 0.41 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 0.46 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 0.46 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 0.46 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 0.46 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 0.46 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 0.462±0.647 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Torfol | 4.2 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 999 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 381 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 55 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 9.4 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.9 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.2 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.2 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.2 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.2 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.2 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 4.2 g/L | Dŵr heb ei glustogi pH 8.08; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid molar | 0.013 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.07 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.17 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.17 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.029 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.015 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 0.013 mol/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.013 mol/L | Dŵr heb ei glustogi pH 8.08; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 325.32 | ||
| pKa | 13.12±0.70 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
| Pwysedd Anwedd | 3.35 x 10-17 Torr | Tymheredd: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.70 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
| Cyfrol Molar | 191.2 ±7.0 cm3/mol | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroadwy | 8 | (1) ACD | |
| H Derbynwyr | 10 | (1) ACD | |
| H Rhoddwyr | 4 | (1) ACD | |
| H Swm Rhoddwr/Derbynnydd | 14 | (1) ACD | |
| logP | 0.462±0.647 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 325.32 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Ffynhonnell Cyflwr |
| Arwynebedd Pegynol | 138 A2 | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Berwbwynt | 639.0±65.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi o Anweddu | 99.17 ±3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Pwynt fflach | 340.2±34.3 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Sbectra ar gael
1H NMR
13C NMR
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