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

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

  • Molecular FormulaC76H52O46
  • Average mass1701.198 Da
  • Monoisotopic mass1700.172974 Da
  • ChemSpider ID26613736

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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}-L-glycero-hexopyranose [German] [ACD/IUPAC Name]
1,2,3,4,6-Pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-L-glycero-hexopyranose [ACD/IUPAC Name]
1,2,3,4,6-Pentakis-O-{3,4-dihydroxy-5-[(3,4,5-trihydroxybenzoyl)oxy]benzoyl}-L-glycéro-hexopyranose [French] [ACD/IUPAC Name]
L-glycero-Hexopyranose, pentakis[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: 56
#Rule of 5 Violations: 4
ACD/LogP: 13.33
ACD/LogD (pH 5.5): 13.17
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 6.92
ACD/BCF (pH 7.4): 3097.62
ACD/KOC (pH 7.4): 165.81
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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