ChemSpider 2D Image | Methyl D-tagatosonate | C7H12O7

Methyl D-tagatosonate

  • Molecular FormulaC7H12O7
  • Average mass208.166 Da
  • Monoisotopic mass208.058304 Da
  • ChemSpider ID32788721
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

D-Tagatosonate de méthyle [French] [ACD/IUPAC Name]
D-Tagatosonic acid, methyl ester [ACD/Index Name]
Methyl D-tagatosonate [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 495.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.9±6.0 kJ/mol
Flash Point: 204.6±22.2 °C
Index of Refraction: 1.535
Molar Refractivity: 42.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.06
ACD/LogD (pH 5.5): -2.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.77
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.77
Polar Surface Area: 124 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 135.8±3.0 cm3

Click to predict properties on the Chemicalize site






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