C11H15N5O4 Adenosine, 2′ -O-methyl- (7CI, 8CI, 9CI, ACI)
Rhif Cofrestrfa CAS
2140-79-6
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 281.27 | - |
| Pwynt Toddi (Arbrofol) | 204-206 °C | - |
| Berwbwynt (Rhagweld) | 623.8±65.0 °C | Gwasg: 760 Torr |
| Dwysedd (Rhagweld) | 1.84 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr |
| pKa (Rhagweld) | 13.13±0.70 | Tymheredd Mwyaf Asidig: 25 °C |
GWênau Canonaidd
OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OC)C1O
GWênau Isomerig
O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1O
InChI
InChI= 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13- 3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- ,8-,11-/m1/s1
Allwedd InChI
FPUGCISOLXNPPC-IOSLPCCCSA-N
2 Enwau Eraill ar y Sylwedd hwn
2′ -O-Methyladenosine (ACI); Cordysinin B
Eiddo ar gael
Thermol
| Eiddo | Gwerth | Ffynhonnell Cyflwr |
| Ymdoddbwynt | 204-206 °C | (1) CAS |
(1) Martinez-Montero, Saul; European Journal of Organic Chemistry, (2009)(19), 3265-3271, S3265/1-S3265/23, CAPplus
Sbectra ar gael
1 H NMR
13 C NMR
IR
Offeren
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 | 1.78 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.97 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.99 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.99 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.99 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffynhonnell Cyflwr Gwerth Eiddo |
| Ffactor Biogrynodiad 1.99 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 | 4.54 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 26.0 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 51.0 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 56.4 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 57.0 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 57.1 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Koc | 57.1 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 57.0 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | -1.70 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | -1.25 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | -0.40 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 0.36 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 0.65 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 0.69 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 0.70 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 0.70 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 0.70 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 0.70 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 0.697±0.596 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Torfol | 3.7 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 886 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 309 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 45 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 7.9 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 3.9 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 3.7 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 3.7 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Torfol | 3.7 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 3.7 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 3.7 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 3.7 g/L | Dŵr heb ei glustogi pH 8.07; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid molar | 0.013 mol/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.15 mol/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.10 mol/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.16 mol/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.028 mol/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 0.014 mol/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| 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 8.07; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 281.27 | ||
| pKa | 13.13±0.70 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | 3.82±0.10 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
| Pwysedd Anwedd | 2.02 x 10-16 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 | 1.84 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
| Cyfrol Molar | 152.5±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 | Ffynhonnell Cyflwr |
| Bondiau Cylchdroadwy | 5 | (1) ACD |
| H Derbynwyr | 9 | (1) ACD |
| H Rhoddwyr | 4 | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| H Swm Rhoddwr/Derbynnydd | 13 | (1) ACD | |
| logP | 0.697±0.596 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 281.27 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
| Eiddo | Gwerth | Ffynhonnell Cyflwr |
| Arwynebedd Pegynol | 129 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 | 623.8±65.0 °C | Gwasg: 760 Torr | (1) ACD |
| Enthalpi o Anweddu | 97.11 ±3.0 kJ/mol | Gwasg: 760 Torr | (1) ACD |
| Pwynt fflach | 331.0±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
1 H NMR
13 C NMR
| Cod | Datganiad Perygl | Ffynhonnell |
| H303 | Gall fod yn niweidiol os caiff ei lyncu | Arbenigwr wedi'i Guradu |
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