ChemSpider 2D Image | 3-O-(3,4,5-Trihydroxybenzoyl)-D-glucopyranose | C13H16O10

3-O-(3,4,5-Trihydroxybenzoyl)-D-glucopyranose

  • Molecular FormulaC13H16O10
  • Average mass332.260 Da
  • Monoisotopic mass332.074341 Da
  • ChemSpider ID58136752

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-O-(3,4,5-Trihydroxybenzoyl)-D-glucopyranose [German] [ACD/IUPAC Name]
3-O-(3,4,5-Trihydroxybenzoyl)-D-glucopyranose [ACD/IUPAC Name]
3-O-(3,4,5-Trihydroxybenzoyl)-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 3-(3,4,5-trihydroxybenzoate) [ACD/Index Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 753.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 285.1±26.4 °C
Index of Refraction: 1.726
Molar Refractivity: 71.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.60
ACD/LogD (pH 7.4): -0.75
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.78
Polar Surface Area: 177 Å2
Polarizability: 28.3±0.5 10-24cm3
Surface Tension: 128.2±5.0 dyne/cm
Molar Volume: 179.5±5.0 cm3

Click to predict properties on the Chemicalize site


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