ChemSpider 2D Image | 4-O-Methyl-beta-D-erythro-hexopyranuronic acid | C7H12O7

4-O-Methyl-β-D-erythro-hexopyranuronic acid

  • Molecular FormulaC7H12O7
  • Average mass208.166 Da
  • Monoisotopic mass208.058304 Da
  • ChemSpider ID71116765
  • defined stereocentres - 3 of 5 defined stereocentres


More details:






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

4-O-Methyl-β-D-erythro-hexopyranuronic acid [ACD/IUPAC Name]
4-O-Methyl-β-D-erythro-hexopyranuronsäure [German] [ACD/IUPAC Name]
Acide 4-O-méthyl-β-D-érythro-hexopyranuronique [French] [ACD/IUPAC Name]
β-D-erythro-Hexopyranuronic acid, 4-O-methyl- [ACD/Index Name]
4-O-Methyl-D-glucuronic acid [ACD/IUPAC Name]

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

2463-49-2,4120-73-4 [DBID]

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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