ChemSpider 2D Image | 1-O-(4-Hydroxybenzoyl)-beta-D-glucopyranuronic acid | C13H14O9

1-O-(4-Hydroxybenzoyl)-β-D-glucopyranuronic acid

  • Molecular FormulaC13H14O9
  • Average mass314.245 Da
  • Monoisotopic mass314.063782 Da
  • ChemSpider ID107449133

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-O-(4-Hydroxybenzoyl)-β-D-glucopyranuronic acid [ACD/IUPAC Name]
1-O-(4-Hydroxybenzoyl)-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 1-O-(4-hydroxybenzoyl)-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 1-(4-hydroxybenzoate) [ACD/Index Name]
72877-64-6 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 639.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.2±3.0 kJ/mol
Flash Point: 244.9±25.0 °C
Index of Refraction: 1.672
Molar Refractivity: 68.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.64
ACD/LogD (pH 5.5): -2.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 100.9±5.0 dyne/cm
Molar Volume: 182.6±5.0 cm3

Click to predict properties on the Chemicalize site


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