ChemSpider 2D Image | 2-(Methoxycarbonyl)phenyl methyl beta-D-glucopyranosiduronate | C15H18O9

2-(Methoxycarbonyl)phenyl methyl β-D-glucopyranosiduronate

  • Molecular FormulaC15H18O9
  • Average mass342.298 Da
  • Monoisotopic mass342.095093 Da
  • ChemSpider ID31046912

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-(Methoxycarbonyl)phenyl methyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
2-(Methoxycarbonyl)phenyl-methyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
Benzoic acid, 2-[(6-methyl-β-D-glucopyranuronosyl)oxy]-, methyl ester [ACD/Index Name]
β-D-Glucopyranosiduronate de 2-(méthoxycarbonyl)phényle et de méthyle [French] [ACD/IUPAC Name]
226932-59-8 [RN]
Methyl Salicylate |A-D-O-Glucuronide Methyl Ester
Methyl Salicylate b-D-O-Glucuronide Methyl Ester
Methyl Salicylate β-D-O-Glucuronide Methyl Ester
METHYL SALICYLATE-β-D-O-GLUCURONIDE METHYL ESTER

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

Density: 1.5±0.1 g/cm3
Boiling Point: 520.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.6±3.0 kJ/mol
Flash Point: 190.8±23.6 °C
Index of Refraction: 1.587
Molar Refractivity: 78.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -0.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 14.34
ACD/LogD (pH 7.4): -0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 14.34
Polar Surface Area: 132 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 66.0±3.0 dyne/cm
Molar Volume: 233.4±3.0 cm3

Click to predict properties on the Chemicalize site


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