C20h23n5O6 adenosine, n-benzoyl-2'-O- (2-Methoythethyl) - (9CI, Abi)
| ʻO nā waiwai pilikino | Waiwai | Kauoha |
| Kaupaona molebular | 42933 | - |
| Density (wānana) | 1.53 ± 0.1 g / cm3 | Temp: 20 ° C; E kaomi: 760 Torr |
| PKA (wānana) | 13.15 ± 0.70 | Nui loa acidic temp: 25 ° C |
Canonical smiles o = c (nc1 = nc = nc2 = c1n = CN2C.C
Isomeric hiula o (ccoc) [c @ (c @ (c
Iachi
Inchi = 1s / c20h23n5O6 / c1-29-7-19-2-2-2-2-2-2-2-2-2-2-12/2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-12/2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-2-12 0-11,13,15-16,20,26-27h, 7-9h2, 7,28), 15-
Inchi kī
RUFJMCSVNGMCSVNGZZFB-KHTYJDQRSA-N
2 mau inoa'ē aʻe no kēia waiwai
N-benzooyl-2'-o- (2-methoxyheyl) adenosine (Aci); N6-ballzoyl-2'-o- (2-commebyethyl) adenosine
Specpe i Loa
1H NMR
13c nmr
| Loaʻa nā waiwai |
| Loea |
| Kekau |
| Huakai |
| Lipinski |
| Pili pū ka piliʻana |
Loea
| Waiwai | Waiwai | Kauoha | Kumu |
| Pūnaehana Pūnaewele | 3.71 | pH 1; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 14.6 | PH 2; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 20.9 | pH 3; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 21.8 | PH 4; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 21.9 | pH 5; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 21.8 | ph 6; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 21.4 | ph 7; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 17.6 | pH 8; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 6.52 | pH 9; Temp: 25 ° C | (1) acd |
| Pūnaehana Pūnaewele | 1.08 | PH 10; Temp: 25 ° C | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Kekau
| Waiwai | Waiwai | Kauoha | Kumu |
| Koc | 53.2 | pH 1; Temp: 25 ° C | (1) acd |
| Koc | 210 | PH 2; Temp: 25 ° C | (1) acd |
| Koc | 299 | pH 3; Temp: 25 ° C | (1) acd |
| Koc | 312 | PH 4; Temp: 25 ° C | (1) acd |
| Koc | 314 | pH 5; Temp: 25 ° C | (1) acd |
| Koc | 313 | ph 6; Temp: 25 ° C | (1) acd |
| Koc | 306 | ph 7; Temp: 25 ° C | (1) acd |
| Koc | 253 | pH 8; Temp: 25 ° C | (1) acd |
| Waiwai | Waiwai | Kauoha | Kumu |
| Koc | 93.5 | pH 9; Temp: 25 ° C | (1) acd |
| Koc | 15.5 | PH 10; Temp: 25 ° C | (1) acd |
| Kākau | 1.30 | pH 1; Temp: 25 ° C | (1) acd |
| Kākau | 1.90 | PH 2; Temp: 25 ° C | (1) acd |
| Kākau | 2.05 | pH 3; Temp: 25 ° C | (1) acd |
| Kākau | 2.07 | PH 4; Temp: 25 ° C | (1) acd |
| Kākau | 2.07 | pH 5; Temp: 25 ° C | (1) acd |
| Kākau | 2.07 | ph 6; Temp: 25 ° C | (1) acd |
| Kākau | 2.06 | ph 7; Temp: 25 ° C | (1) acd |
| Kākau | 1.98 | pH 8; Temp: 25 ° C | (1) acd |
| Kākau | 154 | pH 9; Temp: 25 ° C | (1) acd |
| Kākau | 0.76 | PH 10; Temp: 25 ° C | (1) acd |
| LOGP | 2.085 ± 0.689 | Temp: 25 ° C | (1) acd |
| ʻO ka solubilitic intrinsic | 0,030 g / l | Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 0.17 g / l | pH 1; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 0,0429 g / l | PH 2; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 0,030 g / l | pH 3; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 0,029 g / l | PH 4; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 0,029 g / l | pH 5; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 0,029 g / l | ph 6; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 0,029 g / l | ph 7; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 0,036 g / l | pH 8; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 0,094 g / l | pH 9; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 0.60 G / l | PH 10; Temp: 25 ° C | (1) acd |
| ʻO ka hopena nui | 0,029 g / l | ʻO ka wai wai ph 138; Temp: 25 ° C | (1) acd |
| Molala intrinsic repubility | 7.0 x 10-5 mol / l | Temp: 25 ° C | (1) acd |
| Mlagerliility | 3.9 x 10-4 mol / l | pH 1; Temp: 25 ° C | (1) acd |
| Mlagerliility | 1.00 x 10-4 mol / l | PH 2; Temp: 25 ° C | (1) acd |
| Mlagerliility | 7.0 x 10-5 mol / l | pH 3; Temp: 25 ° C | (1) acd |
| Mlagerliility | 6.7 x 10-5 mol / l | PH 4; Temp: 25 ° C | (1) acd |
| Mlagerliility | 6.7 x 10-5 mol / l | pH 5; Temp: 25 ° C | (1) acd |
| Mlagerliility | 6.7 x 10-5 mol / l | ph 6; Temp: 25 ° C | (1) acd |
| Waiwai | Waiwai | Kauoha | Kumu |
| Mlagerliility | 6.8 x 10-5 mol / l | ph 7; Temp: 25 ° C | (1) acd |
| Mlagerliility | 8.3 x 10-5 mol / l | pH 8; Temp: 25 ° C | (1) acd |
| Mlagerliility | 2.2 x 10-4 mol / l | pH 9; Temp: 25 ° C | (1) acd |
| Mlagerliility | 1.4 x 10-3 mol / l | PH 10; Temp: 25 ° C | (1) acd |
| Mlagerliility | 6.7 x 10-5 mol / l | ʻO ka wai wai ph 138; Temp: 25 ° C | (1) acd |
| Kaupaona molebular | 42933 | ||
| pka | 13.15 ± 0.70 | Nui loa acidic temp: 25 ° C | (1) acd |
| pka | 8.80 ± 0.10 | ʻO ka hapa nui o ka temp: 25 ° C | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Huakai
| Waiwai | Waiwai | Kauoha | Kumu |
| Huakai | 1.53 ± 0.1 g / cm3 | Temp: 20 ° C; E kaomi: 760 Torr | (1) acd |
| Mlar lang | 280.3 ± 7.0 cm3 / mol | Temp: 20 ° C; E kaomi: 760 Torr | (1) acd |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Lipinski
| Waiwai | Waiwai | Kauoha | Kumu |
| Nā mea paʻa paʻa | 9 | (1) acd | |
| Hcceptors | 11 | (1) acd | |
| H donors | 3 | (1) acd | |
| H hāʻawi /ʻaeʻia ka loaʻa kālā | 14 | (1) acd | |
| LOGP | 2.085 ± 0.689 | Temp: 25 ° C | (1) acd |
| Kaupaona molebular | 42933 |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Pili pū ka piliʻana
| Waiwai | Waiwai | Kauoha | Kumu |
| Wahi wahi papa | 141 A2 | (1) acd | |
(1) heluʻia me ka hoʻohanaʻana i ka hoʻomohalaʻana i ka lāʻau lapaʻau
Specpe i Loa
1H NMR
13c nmr
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