C20H23N5O6 Adenosine, N-benzoyl-2′-O-(2-methoxyethyl)- (9CI, ACI)
| Priodweddau Ffisegol Allweddol | Gwerth | Cyflwr |
| Pwysau Moleciwlaidd | 429.43 | - |
| Dwysedd (Rhagweld) | 1.53 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr |
| pKa (Rhagweld) | 13.15±0.70 | Tymheredd Mwyaf Asidig: 25 °C |
Canonical SMILES O=C(NC1=NC=NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC)C=4C=CC=CC4)
Isomeric SMILES O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C=3C(N=C2)=C(NC(=O) )C4=CC=CC=C4)N=CN3
InChI
InChI=1S/C20H23N5O6/c1-29-7-8-30-16-15(27)13(9-26)31-20(16)25-11-23-14-17(21-10-22- 18(14)25)24-19(28)12-5-3-2-4-6-12/h2-6,1 0-11,13,15-16,20,26-27H,7-9H2 ,1H3,(H,21,22,24,28)/t13-,15-,16-,20-/m1/s1
Allwedd InChI
RUFJMCSVNNGZFB-KHTYJDQRSA-N
2 Enwau Eraill ar y Sylwedd hwn
N-Benzoyl-2′-O-(2-methoxyethyl)adenosine (ACI); N6-Benzoyl-2′-O-(2-methoxyethyl)adenosine
Sbectra ar gael
1H NMR
13C NMR
| Eiddo ar gael |
| Biolegol |
| Cemegol |
| Dwysedd |
| Lipinski |
| Strwythur Cysylltiedig |
Biolegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Ffactor Bio-ganolbwyntio | 3.71 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 14.6 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 20.9 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 21.8 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 21.9 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 21.8 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 21.4 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 17.6 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 6.52 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Ffactor Bio-ganolbwyntio | 1.08 | 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)
Cemegol
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 53.2 | pH 1; Tymheredd: 25 °C | (1) ACD |
| Koc | 210 | pH 2; Tymheredd: 25 °C | (1) ACD |
| Koc | 299 | pH 3; Tymheredd: 25 °C | (1) ACD |
| Koc | 312 | pH 4; Tymheredd: 25 °C | (1) ACD |
| Koc | 314 | pH 5; Tymheredd: 25 °C | (1) ACD |
| Koc | 313 | pH 6; Tymheredd: 25 °C | (1) ACD |
| Koc | 306 | pH 7; Tymheredd: 25 °C | (1) ACD |
| Koc | 253 | pH 8; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Koc | 93.5 | pH 9; Tymheredd: 25 °C | (1) ACD |
| Koc | 15.5 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logD | 1.30 | pH 1; Tymheredd: 25 °C | (1) ACD |
| logD | 1.90 | pH 2; Tymheredd: 25 °C | (1) ACD |
| logD | 2.05 | pH 3; Tymheredd: 25 °C | (1) ACD |
| logD | 2.07 | pH 4; Tymheredd: 25 °C | (1) ACD |
| logD | 2.07 | pH 5; Tymheredd: 25 °C | (1) ACD |
| logD | 2.07 | pH 6; Tymheredd: 25 °C | (1) ACD |
| logD | 2.06 | pH 7; Tymheredd: 25 °C | (1) ACD |
| logD | 1.98 | pH 8; Tymheredd: 25 °C | (1) ACD |
| logD | 1.54 | pH 9; Tymheredd: 25 °C | (1) ACD |
| logD | 0.76 | pH 10; Tymheredd: 25 °C | (1) ACD |
| logP | 2.085±0.689 | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid Torfol | 0.030 g/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.17 g/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.0429 g/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.030 g/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.029 g/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.029 g/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.029 g/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.029 g/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.036 g/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.094 g/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.60 g/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Torfol | 0.029 g/L | Dŵr heb ei glustogi pH 6.38; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Cynhenid molar | 7.0 x 10-5 môl/L | Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 3.9 x 10-4 môl/L | pH 1; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.00 x 10-4 môl/L | pH 2; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 7.0 x 10-5 môl/L | pH 3; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 6.7 x 10-5 môl/L | pH 4; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 6.7 x 10-5 môl/L | pH 5; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 6.7 x 10-5 môl/L | pH 6; Tymheredd: 25 °C | (1) ACD |
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Hydoddedd Molar | 6.8 x 10-5 môl/L | pH 7; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 8.3 x 10-5 môl/L | pH 8; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 2.2 x 10-4 môl/L | pH 9; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 1.4 x 10-3 môl/L | pH 10; Tymheredd: 25 °C | (1) ACD |
| Hydoddedd Molar | 6.7 x 10-5 môl/L | Dŵr heb ei glustogi pH 6.38; Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 429.43 | ||
| pKa | 13.15±0.70 | Tymheredd Mwyaf Asidig: 25 °C | (1) ACD |
| pKa | 8.80±0.10 | Tymheredd Mwyaf Sylfaenol: 25 °C | (1) ACD |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Dwysedd
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Dwysedd | 1.53 ± 0.1 g/cm3 | Tymheredd: 20 °C; Gwasg: 760 Torr | (1) ACD |
| Cyfrol Molar | 280.3±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)
Lipinski
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Bondiau Cylchdroadwy | 9 | (1) ACD | |
| H Derbynwyr | 11 | (1) ACD | |
| H Rhoddwyr | 3 | (1) ACD | |
| H Swm Rhoddwr/Derbynnydd | 14 | (1) ACD | |
| logP | 2.085±0.689 | Tymheredd: 25 °C | (1) ACD |
| Pwysau Moleciwlaidd | 429.43 |
(1) Wedi'i gyfrifo gan ddefnyddio Meddalwedd Datblygiad Cemeg Uwch (ACD/Labs) V11.02 (© 1994-2023 ACD/Labs)
Strwythur Cysylltiedig
| Eiddo | Gwerth | Cyflwr | Ffynhonnell |
| Arwynebedd Pegynol | 141 A2 | (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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![C33H35N3O8 Cytidine, N-acetyl-5′-O-[bis(4-methoxyphenyl)phenylmethyl]-2′-O- methyl- (9CI, ACI)](https://cdn.globalso.com/nvchem/C33H35N3O8-Cytidine-300x300.jpg)
![C13H13NO5 1H-Pyrano[3,4-f]indolizine-3,6,10(4H)-trion, 4-ethyl-7,8-dihydro-4- hydroxy-, (4S)- (9CI, ACI) H319, H302](https://cdn.globalso.com/nvchem/C13H13NO5-1H-Pyrano-300x300.jpg)
![C39H46FN4O8P Wridin, 5′ -O- [bis(4-methoxyphenyl)phenylmethyl]-2′ -deoxy-2′ – fflworo-, 3′ – [2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite] (ACI )](https://cdn.globalso.com/nvchem/C39H46FN4O8P-Uridine-300x300.png)
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