ChemSpider 2D Image | Methyl 2-hydroxy-3-(alpha-D-mannopyranosyloxy)benzoate | C14H18O9

Methyl 2-hydroxy-3-(α-D-mannopyranosyloxy)benzoate

  • Molecular FormulaC14H18O9
  • Average mass330.287 Da
  • Monoisotopic mass330.095093 Da
  • ChemSpider ID113608815

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Hydroxy-3-(α-D-mannopyranosyloxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-hydroxy-3-(α-D-mannopyranosyloxy)-, methyl ester [ACD/Index Name]
Methyl 2-hydroxy-3-(α-D-mannopyranosyloxy)benzoate [ACD/IUPAC Name]
Methyl-2-hydroxy-3-(α-D-mannopyranosyloxy)benzoat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 552.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 206.1±23.6 °C
Index of Refraction: 1.629
Molar Refractivity: 75.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.61
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.81
ACD/LogD (pH 7.4): -0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.47
Polar Surface Area: 146 Å2
Polarizability: 30.0±0.5 10-24cm3
Surface Tension: 70.6±3.0 dyne/cm
Molar Volume: 212.8±3.0 cm3

Click to predict properties on the Chemicalize site


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