ChemSpider 2D Image | 4-Acetamidophenyl beta-D-glucopyranosiduronate | C14H16NO8

4-Acetamidophenyl β-D-glucopyranosiduronate

  • Molecular FormulaC14H16NO8
  • Average mass326.279 Da
  • Monoisotopic mass326.088135 Da
  • ChemSpider ID58163580

  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

4-Acetamidophenyl β-D-glucopyranosiduronate [ACD/IUPAC Name]
4-Acetamidophenyl-β-D-glucopyranosiduronat [German] [ACD/IUPAC Name]
Acetamide, N-[4-(β-D-glucopyranuronosyloxy)phenyl]-, ion(1-) [ACD/Index Name]
4-acetamidophenyl β-D-glucosiduronate
4-acetamidophenyl β-D-glucuronide(1-)
acetaminophen O-β-D-glucosiduronate
p-acetamidophenyl β-D-glucopyranosiduronate
p-acetamidophenyl β-D-glucosiduronate
p-acetamidophenyl β-D-glucuronide(1-)
  • Miscellaneous

    • Chemical Class:

      A beta-D-glucosiduronate that is the conjugate base of acetaminophen O-beta-D-glucosiduronic acid, obtained by de; protonation of the carboxy group. ChEBI CHEBI:132962
      A beta-D-glucosiduronate that is the conjugate base of acetaminophen O-beta-D-glucosiduronic acid, obtained by deprotonation of the carboxy group. ChEBI CHEBI:132962

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

Density:
Boiling Point: 697.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.3±3.0 kJ/mol
Flash Point: 375.6±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.93
ACD/LogD (pH 5.5): -4.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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