DFX

1,5-anhydro-2-deoxy-2-fluoro-D-xylitol

Created:1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count18
Chiral Atom Count3
Bond Count18
Aromatic Bond Count0
2D diagram of DFX

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Chemical Component Summary

Name1,5-anhydro-2-deoxy-2-fluoro-D-xylitol
Synonyms1,2-DEOXY-2-FLUORO-XYLOPYRANOSE
Systematic Name (OpenEye OEToolkits)(3R,4S,5S)-5-fluorooxane-3,4-diol
FormulaC5 H9 F O3
Molecular Weight136.122
TypeD-SACCHARIDE

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC1COCC(O)C1O
SMILESCACTVS3.341O[CH]1COC[CH](F)[CH]1O
SMILESOpenEye OEToolkits1.5.0C1C(C(C(CO1)F)O)O
Canonical SMILESCACTVS3.341 O[C@@H]1COC[C@H](F)[C@H]1O
Canonical SMILESOpenEye OEToolkits1.5.0 C1[C@H]([C@@H]([C@H](CO1)F)O)O
InChIInChI1.03 InChI=1S/C5H9FO3/c6-3-1-9-2-4(7)5(3)8/h3-5,7-8H,1-2H2/t3-,4+,5+/m0/s1
InChIKeyInChI1.03 YIJTWYXBSRZXRS-VPENINKCSA-N

Related Resource References

Resource NameReference
PubChem 5288048