U3H
概要
| 表記: | 3'-DEOXY-URIDINE 5'-TRIPHOSPHATE |
| 組成式: | C9 H17 N2 O14 P3 |
| 電荷: | 0 |
| 化学式量: | 470.158 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 | (2R)-1-{3-deoxy-5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-2-hydroxy-2,3-dihydropyrimidin-4(1H)-one |
| OpenEye OEToolkits | 1.5.0 | [(2S,4R,5R)-4-hydroxy-5-(2-hydroxy-4-oxo-2,3-dihydropyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen 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=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C=CC(=O)NC1O)C(O)C2 |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1C[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)O[C@H]1N2C=CC(=O)N[C@H]2O |
| SMILES | CACTVS | 3.341 | O[CH]1C[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]1N2C=CC(=O)N[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2O)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(OC(C1O)N2C=CC(=O)NC2O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H17N2O14P3/c12-6-3-5(23-8(6)11-2-1-7(13)10-9(11)14)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8-9,12,14H,3-4H2,(H,10,13)(H,18,19)(H,20,21)(H2,15,16,17)/t5-,6+,8+,9+/m0/s1 |
| InChIKey | InChI | 1.03 | CVEDUOUYNXHQBA-HIORRCEOSA-N |
