ChemSpider 2D Image | 2,3-Bis-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranose | C20H20O14

2,3-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose

  • Molecular FormulaC20H20O14
  • Average mass484.364 Da
  • Monoisotopic mass484.085297 Da
  • ChemSpider ID24717325

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose [German] [ACD/IUPAC Name]
2,3-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose [ACD/IUPAC Name]
2,3-Bis-O-(3,4,5-trihydroxybenzoyl)-β-D-glucopyranose [French] [ACD/IUPAC Name]
β-D-Glucopyranose, 2,3-bis(3,4,5-trihydroxybenzoate) [ACD/Index Name]
(2R,3R,4S,5R,6R)-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-4-(3,4,5-TRIHYDROXYBENZOYLOXY)OXAN-3-YL 3,4,5-TRIHYDROXYBENZOATE
Hamamelitannin
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL518217/

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

Density: 1.9±0.1 g/cm3
Boiling Point: 947.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.5±3.0 kJ/mol
Flash Point: 331.0±27.8 °C
Index of Refraction: 1.785
Molar Refractivity: 105.6±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.69
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.88
ACD/KOC (pH 5.5): 91.75
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.53
ACD/KOC (pH 7.4): 59.83
Polar Surface Area: 244 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 147.0±5.0 dyne/cm
Molar Volume: 250.4±5.0 cm3

Click to predict properties on the Chemicalize site


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