2-Deoxy-2-Fluoro-1-O-Phosphono-α-D-Glucopyranose

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Properties Simple | Detailed

Formula C6H12FO8P
IUPAC Name [(2r,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate
Molecular Mass 262.127 g·mol−1
Heat of Formation -2022.7 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 257.72 Å 3
Surface Area 229.2 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2-deoxy-2-fluoro-alpha-d-glucose-1-phosphate
  • [(2r,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] dihydrogen phosphate
  • [(2r,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate
  • [(2r,3r,4s,5s,6r)-3-fluoro-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl] dihydrogen phosphate
  • gfp
InChIKey LXEHNDWFCMGWAY-QZABAPFNSA-N
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