6-O-Galloyl-Glucose

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Properties Simple | Detailed

Formula C13H16O10
IUPAC Name [(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxo-hexyl] 3,4,5-trihydroxybenzoate
Molecular Mass 332.260 g·mol−1
Heat of Formation -1694.2 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 358.62 Å 3
Surface Area 303.12 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trihydroxybenzoic acid [(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-keto-hexyl] ester
  • 3,4,5-trihydroxybenzoic acid [(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexyl] ester
  • 6-o-galloyl-d-glucose
  • 6-o-galloylglucose
  • [(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxo-hexyl] 3,4,5-trihydroxybenzoate
  • [(2r,3r,4s,5r)-2,3,4,5-tetrahydroxy-6-oxohexyl] 3,4,5-trihydroxybenzoate
  • d-glucose, 6-(3,4,5-trihydroxybenzoate)
  • d-glucose, 6-gallate
CAS Number(s)
  • 13186-19-1
InChIKey SMZJCCHIPATQCN-LUTQBAROSA-N
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