1,3,6-Trigalloyl Glucose

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Properties Simple | Detailed

Formula C27H24O18
IUPAC Name [(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate
Molecular Mass 636.469 g·mol−1
Heat of Formation -2862.5 ± 16.7 kJ·mol−1
Dipole Moment 6.23 ± 1.08 D
Volume 663.42 Å 3
Surface Area 551.5 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 1.82 ± eV
Point Group Symmetry C1
Synonyms
  • .beta.-d-glucopyranose 1,3,6-trigallate
  • .beta.-d-glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate)
  • 1,3,6-tri-o-galloyl-b-d-glucopyranose
  • 1,3,6-tri-o-galloyl-b-d-glucose
  • 1,3,6-trigalloyl-beta-glucose
  • 3,4,5-trihydroxybenzoic acid [(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] ester
  • 3,4,5-trihydroxybenzoic acid [(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-[oxo-(3,4,5-trihydroxyphenyl)methoxy]-6-[[oxo-(3,4,5-trihydroxyphenyl)methoxy]methyl]-4-tetrahydropyranyl] ester
  • [(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(3,4,5-trihydroxybenzoyl)oxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]tetrahydropyran-4-yl] 3,4,5-trihydroxybenzoate
  • [(2s,3r,4s,5r,6r)-3,5-dihydroxy-2-(3,4,5-trihydroxyphenyl)carbonyloxy-6-[(3,4,5-trihydroxyphenyl)carbonyloxymethyl]oxan-4-yl] 3,4,5-trihydroxybenzoate
  • acon1_002062
  • beta-d-glucopyranose 1,3,6-trigallate
  • beta-d-glucopyranose, 1,3,6-tris(3,4,5-trihydroxybenzoate)
  • glucopyranose, 1,3,6-trigallate, .beta.-d-
  • glucopyranose, 1,3,6-trigallate, beta-d-
  • megxp0_001387
  • tannic acid (corilagin)
InChIKey RNKMOGIPOMVCHO-SJMVAQJGSA-N
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