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 |