2-Acetamido-2-Deoxy-1-O-Phosphono-β-D-Glucopyranose

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Properties Simple | Detailed

Formula C8H16NO9P
IUPAC Name [(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate
Molecular Mass 301.188 g·mol−1
Heat of Formation -2008.3 ± 16.7 kJ·mol−1
Dipole Moment 6.43 ± 1.08 D
Volume 311.66 Å 3
Surface Area 271.68 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.29 ± eV
Point Group Symmetry C1
Synonyms
  • [(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] dihydrogen phosphate
  • [(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
  • [(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] dihydrogen phosphate
  • [(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl] dihydrogen phosphate
InChIKey FZLJPEPAYPUMMR-PVFLNQBWSA-N
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