ChemSpider 2D Image | 2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-D-glucopyranose | C20H20O14

2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-D-glucopyranose

  • Molecular FormulaC20H20O14
  • Average mass484.364 Da
  • Monoisotopic mass484.085297 Da
  • ChemSpider ID24690524

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-D-glucopyranose [German] [ACD/IUPAC Name]
2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-D-glucopyranose [ACD/IUPAC Name]
2,6-Bis-O-(3,4,5-trihydroxybenzoyl)-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 2,6-bis(3,4,5-trihydroxybenzoate) [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL458684/

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

Density: 1.9±0.1 g/cm3
Boiling Point: 949.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 331.8±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: 2.81
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.33
ACD/KOC (pH 5.5): 82.24
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.19
ACD/KOC (pH 7.4): 53.94
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


Advertisement