ChemSpider 2D Image | 4-O-(~2~H_3_)Methyl-D-glucopyranuronic acid | C7H9D3O7

4-O-(2H3)Methyl-D-glucopyranuronic acid

  • Molecular FormulaC7H9D3O7
  • Average mass211.184 Da
  • Monoisotopic mass211.077133 Da
  • ChemSpider ID107442578
  • defined stereocentres - 4 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

4-O-(2H3)Methyl-D-glucopyranuronic acid [ACD/IUPAC Name]
4-O-(2H3)Methyl-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 4-O-(2H3)méthyl-D-glucopyranuronique [French] [ACD/IUPAC Name]
D-Glucopyranuronic acid, 4-O-methyl-d3- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 451.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.0±6.0 kJ/mol
Flash Point: 188.0±22.2 °C
Index of Refraction: 1.565
Molar Refractivity: 42.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.21
ACD/LogD (pH 5.5): -4.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 16.7±0.5 10-24cm3
Surface Tension: 78.8±5.0 dyne/cm
Molar Volume: 129.0±5.0 cm3

Click to predict properties on the Chemicalize site






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