2-Acetamido-1,3,6-Tri-O-Acetyl-2,4-Dideoxy-4-Fluoro-α-D-Glucopyranose

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Properties Simple | Detailed

Formula C14H20FNO8
IUPAC Name [(2r,3s,4r,5r,6r)-5-acetamido-4,6-diacetoxy-3-fluoro-tetrahydropyran-2-yl]methyl acetate
Molecular Mass 349.309 g·mol−1
Heat of Formation -1767.5 ± 16.7 kJ·mol−1
Dipole Moment 5.05 ± 1.08 D
Volume 395.74 Å 3
Surface Area 345.9 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy 0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(acetylamino)-2,4-dideoxy-4-fluoro-alpha-d-glucopyranose 1,3,6-triacetate
  • 2-acetamido-1,3,6-tri-o-acetyl-4-deoxy-4-fluoro-alpha-d-glucopyranose
  • 2-acetamido-1,3,6-tri-o-acetyl-4-deoxy-4-fluoroglucopyranose
  • 4-f-glcnac
  • [(2r,3r,4r,5s,6r)-3-acetamido-2-acetoxy-6-(acetoxymethyl)-5-fluoro-tetrahydropyran-4-yl] acetate
  • [(2r,3r,4r,5s,6r)-3-acetamido-2-acetyloxy-6-(acetyloxymethyl)-5-fluoro-oxan-4-yl] ethanoate
  • [(2r,3r,4r,5s,6r)-3-acetamido-2-acetyloxy-6-(acetyloxymethyl)-5-fluorooxan-4-yl] acetate
  • acetic acid [(2r,3r,4r,5s,6r)-3-acetamido-2-acetoxy-6-(acetoxymethyl)-5-fluoro-tetrahydropyran-4-yl] ester
CAS Number(s)
  • 129785-44-0
InChIKey AUCRVLBGFFSCPW-POQQGIQPSA-N
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