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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

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

  • 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

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

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 https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:75211

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






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