XYF
概要
表記: | 5(R)-fluoro-beta-D-xylopyranose |
別名: | 5(R)-fluoro-beta-D-xylose 5(R)-fluoro-D-xylose; 5(R)-fluoro-xylose |
組成式: | C5 H8 F O5 |
電荷: | -1 |
化学式量: | 167.112 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 | 10.04 | (2R,3R,4R,5S,6R)-6-fluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-olate (non-preferred name) |
OpenEye OEToolkits | 1.5.0 | (2R,3R,4R,5S,6R)-6-fluoro-3,4,5-trihydroxy-oxan-2-olate |
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-]C1OC(F)C(O)C(O)C1O |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1[C@H]([O-])O[C@H](F)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.341 | O[CH]1[CH]([O-])O[CH](F)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | [C@H]1([C@H]([C@@H](O[C@@H]([C@H]1O)F)[O-])O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C1(C(C(OC(C1O)F)[O-])O)O |
InChI | InChI | 1.03 | InChI=1S/C5H8FO5/c6-4-2(8)1(7)3(9)5(10)11-4/h1-5,7-9H/q-1/t1-,2-,3+,4-,5?/m0/s1 |
InChIKey | InChI | 1.03 | CSWSGZBYLQUXQI-ZAMRNKCBSA-N |