ChemSpider 2D Image | 2,3-Digalloylglucose | C20H20O14

2,3-Digalloylglucose

  • Molecular FormulaC20H20O14
  • Average mass484.364 Da
  • Monoisotopic mass484.085297 Da
  • ChemSpider ID20020654

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2,3-Bis-O-(3,4,5-trihydroxybenzoyl)-D-glucose [ACD/IUPAC Name]
2,3-Bis-O-(3,4,5-trihydroxybenzoyl)-D-glucose [German] [ACD/IUPAC Name]
2,3-Bis-O-(3,4,5-trihydroxybenzoyl)-D-glucose [French] [ACD/IUPAC Name]
2,3-Digalloylglucose
2,3-Di-O-galloyl-D-glucose
D-Glucose, 2,3-bis(3,4,5-trihydroxybenzoate) [ACD/Index Name]
digalloylglucose
glucose, digalloyl-

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

Density: 1.8±0.1 g/cm3
Boiling Point: 948.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.7±3.0 kJ/mol
Flash Point: 330.0±27.8 °C
Index of Refraction: 1.722
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.72
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.58
ACD/KOC (pH 5.5): 86.39
ACD/LogD (pH 7.4): 0.72
ACD/BCF (pH 7.4): 1.74
ACD/KOC (pH 7.4): 41.91
Polar Surface Area: 252 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 111.2±3.0 dyne/cm
Molar Volume: 274.1±3.0 cm3

Click to predict properties on the Chemicalize site


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