ChemSpider 2D Image | 5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-D-ribofuranose | C20H20O14

5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-D-ribofuranose

  • Molecular FormulaC20H20O14
  • Average mass484.364 Da
  • Monoisotopic mass484.085297 Da
  • ChemSpider ID23941695

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-D-ribofuranose [ACD/IUPAC Name]
5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]methyl}-D-ribofuranose [German] [ACD/IUPAC Name]
5-O-(3,4,5-Trihydroxybenzoyl)-2-C-{[(3,4,5-trihydroxybenzoyl)oxy]méthyl}-D-ribofuranose [French] [ACD/IUPAC Name]
D-Ribofuranose, 2-C-[[(3,4,5-trihydroxybenzoyl)oxy]methyl]-, 5-(3,4,5-trihydroxybenzoate) [ACD/Index Name]
Hamamelitannin

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

Density: 1.8±0.1 g/cm3
Boiling Point: 941.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.6±3.0 kJ/mol
Flash Point: 329.0±27.8 °C
Index of Refraction: 1.746
Molar Refractivity: 108.1±0.3 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 0.94
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 77.08
ACD/LogD (pH 7.4): 0.77
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 52.24
Polar Surface Area: 244 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 112.9±3.0 dyne/cm
Molar Volume: 266.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement