MBF
Summary
| Name: | 2-deoxy-2-fluoro-beta-D-mannopyranose |
| Synonyms: | 2-DEOXY-2-FLUORO-BETA-D-MANNOSE 2-deoxy-2-fluoro-D-mannose; 2-deoxy-2-fluoro-mannose |
| Formula: | C6 H11 F O5 |
| Formal charge: | 0 |
| Formula weight: | 182.147 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| 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 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| 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 |
