ChemSpider 2D Image | Tannic acid, beta | C76H52O46

Tannic acid, β

  • 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, β
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]
Gallotannin
Glycerite
β-D-Glucopyranose, 1,2,3,4,6-pentakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate]
MFCD00066397 [MDL number]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3042 [DBID]
WW5075000 [DBID]
1401-55-4,93615-37-3 [DBID]
16201_RIEDEL [DBID]
403040_SIAL [DBID]
96311_FLUKA [DBID]
LK6920000 [DBID]
T0200_SIAL [DBID]
W304204_ALDRICH [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    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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