DFX
Summary
| Name: | 1,5-anhydro-2-deoxy-2-fluoro-D-xylitol |
| Synonyms: | 1,2-DEOXY-2-FLUORO-XYLOPYRANOSE |
| Formula: | C5 H9 F O3 |
| Formal charge: | 0 |
| Formula weight: | 136.122 Da |
| Component type: | D-saccharide |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 1,5-anhydro-2-deoxy-2-fluoro-D-xylitol |
| OpenEye OEToolkits | 1.5.0 | (3R,4S,5S)-5-fluorooxane-3,4-diol |
| PDB-CARE | 1.0 | D-1-deoxy-Xylp2fluoro |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | FC1COCC(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@@H]1COC[C@H](F)[C@H]1O |
| SMILES | CACTVS | 3.341 | O[CH]1COC[CH](F)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@H]([C@@H]([C@H](CO1)F)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(C(CO1)F)O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H9FO3/c6-3-1-9-2-4(7)5(3)8/h3-5,7-8H,1-2H2/t3-,4+,5+/m0/s1 |
| InChIKey | InChI | 1.03 | YIJTWYXBSRZXRS-VPENINKCSA-N |
