A6U
概要
| 表記: | 1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol |
| 別名: | ((2R,3S,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate |
| 組成式: | C10 H15 N2 O9 P |
| 電荷: | 0 |
| 化学式量: | 338.208 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 | 1,5-anhydro-2-deoxy-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol |
| OpenEye OEToolkits | 1.7.0 | [(2R,3S,4S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxan-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 | 12.01 | O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C=C1)C(O)C2O |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1[C@@H](O)[C@@H](CO[C@@H]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES | CACTVS | 3.370 | O[CH]1[CH](O)[CH](CO[CH]1CO[P](O)(O)=O)N2C=CC(=O)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C1[C@H]([C@@H]([C@@H]([C@H](O1)COP(=O)(O)O)O)O)N2C=CC(=O)NC2=O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C1C(C(C(C(O1)COP(=O)(O)O)O)O)N2C=CC(=O)NC2=O |
| InChI | InChI | 1.03 | InChI=1S/C10H15N2O9P/c13-7-1-2-12(10(16)11-7)5-3-20-6(9(15)8(5)14)4-21-22(17,18)19/h1-2,5-6,8-9,14-15H,3-4H2,(H,11,13,16)(H2,17,18,19)/t5-,6-,8+,9-/m1/s1 |
| InChIKey | InChI | 1.03 | PXVDRBBXHNVTFS-MTSNSDSCSA-N |
