ChemSpider 2D Image | Tannic acid | C76H52O46

Tannic acid

  • Molecular FormulaC76H52O46
  • Average mass1701.198 Da
  • Monoisotopic mass1700.172974 Da
  • ChemSpider ID17286569
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

Tannic acid [JAN] [Wiki]
1,2,3,4,6-Pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-β-D-glucopyranose [ACD/IUPAC Name]
1,2,3,4,6-Pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-β-D-glucopyranose [German] [ACD/IUPAC Name]
1,2,3,4,6-Pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-β-D-glucopyranose [French] [ACD/IUPAC Name]
226-562-9 [EINECS]
5424-20-4 [RN]
β-D-Glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate] [ACD/Index Name]
(2R,3R,4S,5R,6S)-4,5,6-tris({3,4-dihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxy]phenyl}carbonyloxy)-2-[({3,4-dihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxy]phenyl}carbonyloxy)methyl]oxan-3-yl 3,4-dihydroxy-5-[(3,4,5-trihydroxyphenyl)carbonyloxy]benzoate
1,2,3,4,6-penta-O-(3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl)-β-D-glucopyranose
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

16201_RIEDEL [DBID]
403040_SIAL [DBID]
96311_FLUKA [DBID]
T0200_SIAL [DBID]
W304204_ALDRICH [DBID]

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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