ChemSpider 2D Image | 4-Methylphenyl beta-D-glucopyranosiduronate | C13H15O7

4-Methylphenyl β-D-glucopyranosiduronate

  • Molecular FormulaC13H15O7
  • Average mass283.254 Da
  • Monoisotopic mass283.082336 Da
  • ChemSpider ID58827245

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Methylphenyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
4-Methylphenyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 4-methylphenyl, ion(1-) [ACD/Index Name]
p-cresol glucuronidate
p-cresol glucuronide(1-)
p-cresol β-D-glucuronidate
p-cresol β-D-glucuronide(1-)
p-cresyl glucuronidate
p-cresyl glucuronide(1-)
p-cresyl β-D-glucuronidate
More...
  • Miscellaneous

    • Chemical Class:

      A carbohydrate acid derivative anion resulting from the removal of a proton from the carboxy group of p-tolyl beta-D-glucuronide. ChEBI CHEBI:133576

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

Density:
Boiling Point: 549.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 211.6±23.6 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -3.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 119 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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