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

3-O-{2,4-Dihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-1,2,4,6-tetrakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}hexopyranose

  • Molecular FormulaC76H52O46
  • Average mass1701.198 Da
  • Monoisotopic mass1700.172974 Da
  • ChemSpider ID17286757

More details:

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

3-O-{2,4-Dihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-1,2,4,6-tetrakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}hexopyranose [ACD/IUPAC Name]
3-O-{2,4-Dihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-1,2,4,6-tetrakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}hexopyranose [German] [ACD/IUPAC Name]
3-O-{2,4-Dihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-1,2,4,6-tétrakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}hexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, 3-[2,4-dihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxy]benzoate] 1,2,4,6-tetrakis[3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoate] [ACD/Index Name]

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: 13.51
ACD/LogD (pH 5.5): 9.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4490484.50
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 15.26
ACD/KOC (pH 7.4): 4.32
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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