B-Glucogallin

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Properties Simple | Detailed

Formula C13H16O10
IUPAC Name [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3,4,5-trihydroxybenzoate
Molecular Mass 332.260 g·mol−1
Heat of Formation -1712.0 ± 16.7 kJ·mol−1
Dipole Moment 1.21 ± 1.08 D
Volume 350.3 Å 3
Surface Area 316.55 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-d-glucogallin
  • .beta.-d-glucopyranose, 1-(3,4,5-trihydroxybenzoate)
  • .beta.-d-glucose, 1-gallate
  • .beta.-glucogallin
  • 1-galloyl-.beta.-glucose
  • 1-galloyl-beta-d-glucose
  • 1-galloyl-beta-glucose
  • 1-galloyl-glucose
  • 1-galloylglucose
  • 1-o-(3,4,5-trihydroxybenzoyl)-beta-d-glucopyranose
  • 1-o-galloyl-.beta.-d-glucose
  • 1-o-galloyl-beta-d-glucose
  • 3,4,5-trihydroxybenzoic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl] ester
  • 3,4,5-trihydroxybenzoic acid [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl] ester
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 3,4,5-trihydroxybenzoate
  • [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] 3,4,5-trihydroxybenzoate
  • beta-d-glucopyranose, 1-(3,4,5-trihydroxybenzoate)
  • beta-glucogallin
  • d-glucose 1-(3,4,5-trihydroxybenzoate)
  • glucopyranose, 1-gallate, .beta.-d-
CAS Number(s)
  • 554-37-0
  • 13405-60-2
InChIKey GDVRUDXLQBVIKP-HQHREHCSSA-N
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