XYF
Summary
| Name: | 5(R)-fluoro-beta-D-xylopyranose |
| Synonyms: | 5(R)-fluoro-beta-D-xylose 5(R)-fluoro-D-xylose; 5(R)-fluoro-xylose |
| Formula: | C5 H8 F O5 |
| Formal charge: | -1 |
| Formula weight: | 167.112 Da |
| Component type: | D-saccharide, beta linking |
Chemical Identifiers
| Program | Version | Name |
| 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 |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| 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 |
