2-Deoxy-2-Fluoro-4-O-β-D-Glucopyranosyl-Alpha-D-Glucopyranose

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Formula C12H21FO10
IUPAC Name (2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6s)-5-fluoro-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 344.288 g·mol−1
Heat of Formation -2083.3 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 366.87 Å 3
Surface Area 310.44 Å 2
HOMO Energy -10.56 ± 0.55 eV
LUMO Energy 0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6s)-5-fluoro-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6s)-5-fluoro-4,6-dihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6s)-5-fluoro-4,6-dihydroxy-2-methylol-tetrahydropyran-3-yl]oxy-6-methylol-tetrahydropyran-3,4,5-triol
  • (2s,3r,4s,5s,6r)-2-[[(2r,3s,4s,5r,6s)-5-fluoro-4,6-dihydroxy-2-(hydroxymethyl)-3-tetrahydropyranyl]oxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
InChIKey CHZBROHNUFSPPZ-FINXQLPQSA-N
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