MBF
概要
表記: | 2-deoxy-2-fluoro-beta-D-mannopyranose |
別名: | 2-DEOXY-2-FLUORO-BETA-D-MANNOSE 2-deoxy-2-fluoro-D-mannose; 2-deoxy-2-fluoro-mannose |
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 | 10.04 | 2-deoxy-2-fluoro-beta-D-mannopyranose |
OpenEye OEToolkits | 1.5.0 | (2R,3S,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,4,5-triol |
PDB-CARE | 1.0 | b-D-Manp2fluoro |
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)C(OC1O)CO |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@@H](O)[C@@H](F)[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.341 | OC[CH]1O[CH](O)[CH](F)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O)F)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)O)F)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1 |
InChIKey | InChI | 1.03 | ZCXUVYAZINUVJD-AIECOIEWSA-N |