ChemSpider 2D Image | Methyl 4-O-methyl-beta-D-glucopyranuronate | C8H14O7

Methyl 4-O-methyl-β-D-glucopyranuronate

  • Molecular FormulaC8H14O7
  • Average mass222.193 Da
  • Monoisotopic mass222.073959 Da
  • ChemSpider ID35034073

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-O-Méthyl-β-D-glucopyranuronate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-O-methyl-β-D-glucopyranuronate [ACD/IUPAC Name]
Methyl-4-O-methyl-β-D-glucopyranuronat [German] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, 4-O-methyl-, methyl ester [ACD/Index Name]
MCU

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

Density: 1.4±0.1 g/cm3
Boiling Point: 354.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.4±6.0 kJ/mol
Flash Point: 140.3±21.4 °C
Index of Refraction: 1.520
Molar Refractivity: 46.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.67
ACD/LogD (pH 5.5): -0.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.54
ACD/LogD (pH 7.4): -0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.54
Polar Surface Area: 105 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 154.1±5.0 cm3

Click to predict properties on the Chemicalize site


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