UPV
概要
| 表記: | 2'-O-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate) |
| 組成式: | C15 H23 N2 O11 P |
| 電荷: | 0 |
| 化学式量: | 438.324 Da |
| 分子種別: | RNA linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2'-O-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.7.6 | [(2R,3R,4R,5R)-2-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-5-(phosphonooxymethyl)oxolan-3-yl]oxymethyl 2,2-dimethylpropanoate |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(OCOC(=O)C(C)(C)C)C2O |
| InChI | InChI | 1.03 | InChI=1S/C15H23N2O11P/c1-15(2,3)13(20)26-7-25-11-10(19)8(6-27-29(22,23)24)28-12(11)17-5-4-9(18)16-14(17)21/h4-5,8,10-12,19H,6-7H2,1-3H3,(H,16,18,21)(H2,22,23,24)/t8-,10-,11-,12-/m1/s1 |
| InChIKey | InChI | 1.03 | AVEWAPSZWXGLGF-HJQYOEGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)(C)C(=O)OCO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.370 | CC(C)(C)C(=O)OCO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(C)(C)C(=O)OCO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(C)(C)C(=O)OCOC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O |
