X2F
概要
| 表記: | 2-deoxy-2-fluoro-alpha-D-xylopyranose |
| 別名: | 2-DEOXY-2-FLUORO XYLOPYRANOSE 2-deoxy-2-fluoro-alpha-D-xylose; 2-deoxy-2-fluoro-D-xylose; 2-deoxy-2-fluoro-xylose |
| 組成式: | C5 H9 F O4 |
| 電荷: | 0 |
| 化学式量: | 152.121 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 | 10.04 | 2-deoxy-2-fluoro-alpha-D-xylopyranose |
| OpenEye OEToolkits | 1.5.0 | (2S,3R,4S,5R)-3-fluorooxane-2,4,5-triol |
| PDB-CARE | 1.0 | a-D-Xylp2fluoro |
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 | FC1C(O)C(O)COC1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1CO[C@H](O)[C@H](F)[C@H]1O |
| SMILES | CACTVS | 3.341 | O[CH]1CO[CH](O)[CH](F)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@@H]([C@H]([C@H](O1)O)F)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(C(O1)O)F)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5+/m1/s1 |
| InChIKey | InChI | 1.03 | YVMHSZGJGHRGOD-MBMOQRBOSA-N |
