ChemSpider 2D Image | 2-Carboxyphenyl D-glucopyranosiduronic acid | C13H14O9

2-Carboxyphenyl D-glucopyranosiduronic acid

  • Molecular FormulaC13H14O9
  • Average mass314.245 Da
  • Monoisotopic mass314.063782 Da
  • ChemSpider ID58994958

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2-Carboxyphenyl D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-Carboxyphenyl-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide D-glucopyranosiduronique de 2-carboxyphényle [French] [ACD/IUPAC Name]
Benzoic acid, 2-(D-glucopyranuronosyloxy)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 653.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 250.4±25.0 °C
Index of Refraction: 1.676
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.34
ACD/LogD (pH 5.5): -5.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.63
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 100.6±3.0 dyne/cm
Molar Volume: 182.7±3.0 cm3

Click to predict properties on the Chemicalize site


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