ChemSpider 2D Image | 2-[(2,6-Di-O-benzoyl-beta-D-glucopyranosyl)oxy]-5-hydroxybenzyl 2,3-dihydroxybenzoate | C34H30O13

2-[(2,6-Di-O-benzoyl-β-D-glucopyranosyl)oxy]-5-hydroxybenzyl 2,3-dihydroxybenzoate

  • Molecular FormulaC34H30O13
  • Average mass646.594 Da
  • Monoisotopic mass646.168640 Da
  • ChemSpider ID28521957

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3-Dihydroxybenzoate de 2-[(2,6-di-O-benzoyl-β-D-glucopyranosyl)oxy]-5-hydroxybenzyle [French] [ACD/IUPAC Name]
2-[(2,6-Di-O-benzoyl-β-D-glucopyranosyl)oxy]-5-hydroxybenzyl 2,3-dihydroxybenzoate [ACD/IUPAC Name]
2-[(2,6-Di-O-benzoyl-β-D-glucopyranosyl)oxy]-5-hydroxybenzyl-2,3-dihydroxybenzoat [German] [ACD/IUPAC Name]
Benzoic acid, 2,3-dihydroxy-, [2-[(2,6-di-O-benzoyl-β-D-glucopyranosyl)oxy]-5-hydroxyphenyl]methyl ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 859.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.9±3.0 kJ/mol
Flash Point: 274.9±27.8 °C
Index of Refraction: 1.698
Molar Refractivity: 161.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1401.02
ACD/KOC (pH 5.5): 6209.28
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 935.23
ACD/KOC (pH 7.4): 4144.92
Polar Surface Area: 199 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 87.0±5.0 dyne/cm
Molar Volume: 419.5±5.0 cm3

Click to predict properties on the Chemicalize site


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