ChemSpider 2D Image | Methyl (3xi)-D-ribo-hexopyranuronate | C7H12O7

Methyl (3ξ)-D-ribo-hexopyranuronate

  • Molecular FormulaC7H12O7
  • Average mass208.166 Da
  • Monoisotopic mass208.058304 Da
  • ChemSpider ID68026126
  • defined stereocentres - 3 of 5 defined stereocentres


More details:






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

(3ξ)-D-ribo-Hexopyranuronate de méthyle [French] [ACD/IUPAC Name]
D-ribo-Hexopyranuronic acid, methyl ester, (3ξ)- [ACD/Index Name]
Methyl (3ξ)-D-ribo-hexopyranuronate [ACD/IUPAC Name]
Methyl-(3ξ)-D-ribo-hexopyranuronat [German] [ACD/IUPAC Name]
52613-19-1 [RN]
Methyl D-glucuronate [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 372.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.6±6.0 kJ/mol
Flash Point: 152.6±21.4 °C
Index of Refraction: 1.598
Molar Refractivity: 42.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.59
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.44
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.44
Polar Surface Area: 116 Å2
Polarizability: 16.6±0.5 10-24cm3
Surface Tension: 95.3±3.0 dyne/cm
Molar Volume: 123.1±3.0 cm3

Click to predict properties on the Chemicalize site






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