T23
概要
| 表記: | 2'-O-METHYL-3'-METHYL-3'-DEOXY-ARABINOFURANOSYL-THYMINE-5'-PHOSPHATE |
| 組成式: | C12 H19 N2 O8 P |
| 電荷: | 0 |
| 化学式量: | 350.262 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 3'-deoxy-3',5-dimethyl-2'-O-methyluridine 5'-(dihydrogen phosphate) |
| OpenEye OEToolkits | 1.5.0 | [(2S,3R,4R,5R)-4-methoxy-3-methyl-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | 10.04 | O=C1NC(=O)N(C=C1C)C2OC(C(C2OC)C)COP(=O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H]1[C@H](C)[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=C(C)C(=O)NC2=O |
| SMILES | CACTVS | 3.341 | CO[CH]1[CH](C)[CH](CO[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H]1[C@H](O[C@H]([C@@H]1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(OC(C1OC)N2C=C(C(=O)NC2=O)C)COP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C12H19N2O8P/c1-6-4-14(12(16)13-10(6)15)11-9(20-3)7(2)8(22-11)5-21-23(17,18)19/h4,7-9,11H,5H2,1-3H3,(H,13,15,16)(H2,17,18,19)/t7-,8-,9-,11-/m1/s1 |
| InChIKey | InChI | 1.03 | MCXXETKRWYMFCI-TURQNECASA-N |
