G3F
概要
| 表記: | 3-deoxy-3-fluoro-beta-D-glucopyranose |
| 別名: | 3-deoxy-3-fluoro-beta-D-glucose 3-deoxy-3-fluoro-D-glucose; 3-deoxy-3-fluoro-glucose |
| 組成式: | C6 H11 F O5 |
| 電荷: | 0 |
| 化学式量: | 182.147 Da |
| 分子種別: | D-saccharide, beta linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 3-deoxy-3-fluoro-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.7.0 | (2R,3S,4S,5R,6R)-4-fluoro-6-(hydroxymethyl)oxane-2,3,5-triol |
| PDB-CARE | 1.0 | b-D-Glcp3fluoro |
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(OC(O)C1O)CO |
| SMILES_CANONICAL | CACTVS | 3.370 | OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](F)[C@@H]1O |
| SMILES | CACTVS | 3.370 | OC[CH]1O[CH](O)[CH](O)[CH](F)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | C(C1C(C(C(C(O1)O)O)F)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | BUMRBAMACDBPKO-AIECOIEWSA-N |
