ChemSpider 2D Image | 3-O-(1-Carboxyethyl)-beta-D-glucopyranuronic acid | C9H14O9

3-O-(1-Carboxyethyl)-β-D-glucopyranuronic acid

  • Molecular FormulaC9H14O9
  • Average mass266.202 Da
  • Monoisotopic mass266.063782 Da
  • ChemSpider ID57487301

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

3-O-(1-Carboxyethyl)-β-D-glucopyranuronic acid [ACD/IUPAC Name]
3-O-(1-Carboxyethyl)-β-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 3-O-(1-carboxyéthyl)-β-D-glucopyranuronique [French] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 3-O-(1-carboxyethyl)- [ACD/Index Name]
4-O-(1-carboxyethyl)glucuronic acid

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

Density: 1.7±0.1 g/cm3
Boiling Point: 650.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±6.0 kJ/mol
Flash Point: 258.1±25.0 °C
Index of Refraction: 1.590
Molar Refractivity: 52.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.21
ACD/LogD (pH 5.5): -5.77
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 91.3±5.0 dyne/cm
Molar Volume: 156.8±5.0 cm3

Click to predict properties on the Chemicalize site


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