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ChemSpider 2D Image | 1,2,3,4,6-Pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-D-glucopyranosato(13-) | C76H52O46


  • Molecular FormulaC76H52O46
  • Average mass1701.198 Da
  • Monoisotopic mass1700.172974 Da
  • ChemSpider ID17288010
  • defined stereocentres - 4 of 5 defined stereocentres

More details:

Date of deprecation: 17:54, Aug 20, 2011
Reason for deprecation: Deprecate record: incorrect deposition of tannic acid

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Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,2,3,4,6-Pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-D-glucopyranosato(13-) [ACD/IUPAC Name]
1,2,3,4,6-Pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-D-glucopyranose [German] [ACD/IUPAC Name]
1,2,3,4,6-Pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate] [ACD/Index Name]
1,2,3,4,6-pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-D-glucopyranose [ACD/IUPAC Name]
1401-55-4 [RN]
tannic acid
  • Miscellaneous
    • Chemical Class:

      A gallotannin obtained by acylation of the five hydroxy groups of <stereo>D</stereo>-glucose by 3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid (a gallic acid dimer). ChEBI CHEBI:75211
      A gallotannin obtained by acylation of the five hydroxy groups of D-glucose by 3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoic acid (a gallic acid dimer). ChEBI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.927
Molar Refractivity: 379.6±0.4 cm3
#H bond acceptors: 46
#H bond donors: 25
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 4
ACD/LogP: 13.33
ACD/LogD (pH 5.5): 9.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2546817.00
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 7.4): 1.42
Polar Surface Area: 778 Å2
Polarizability: 150.5±0.5 10-24cm3
Surface Tension: 203.1±5.0 dyne/cm
Molar Volume: 799.1±5.0 cm3

Click to predict properties on the Chemicalize site