50A
概要
| 表記: | 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose |
| 別名: | Inhibitor CZ-50b arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribose; 2-deoxy-2-fluoro-5-O-phosphono-D-ribose; 2-deoxy-2-fluoro-5-O-phosphono-ribose |
| 組成式: | C5 H10 F O7 P |
| 電荷: | 0 |
| 化学式量: | 232.101 Da |
| 分子種別: | D-saccharide, alpha linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose |
| OpenEye OEToolkits | 1.7.6 | [(2R,3R,4R,5S)-4-fluoranyl-3,5-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
| PDB-CARE | 1.0 | D-1-deoxy-Ribf2fluoro5PO3 |
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 | FC1C(O)C(OC1O)COP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1 |
| InChIKey | InChI | 1.03 | NOTDWSJIOCLYHZ-AIHAYLRMSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]1F |
| SMILES | CACTVS | 3.370 | O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C([C@@H]1[C@H]([C@H]([C@H](O1)O)F)O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(C1C(C(C(O1)O)F)O)OP(=O)(O)O |
