ChemSpider 2D Image | Acetaminophen D-glucuronide | C14H14D3NO8

Acetaminophen D-glucuronide

  • Molecular FormulaC14H14D3NO8
  • Average mass330.305 Da
  • Monoisotopic mass330.114258 Da
  • ChemSpider ID28294742
  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

16110-10-4 [RN]
4-[(2H3)Ethanoylamino]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acetaminophen D-glucuronide
Acide β-D-glucopyranosiduronique de 4-[(2H3)éthanoylamino]phényle [French] [ACD/IUPAC Name]
4-[(2H3)Ethanoylamino]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
Acetamide-d3, N-[4-(β-D-glucopyranuronosyloxy)phenyl]- [ACD/Index Name]
Acetaminophen glucuronide
acetaminophenglucuronide

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

Density: 1.6±0.1 g/cm3
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: 1.672
Molar Refractivity: 76.1±0.3 cm3
#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: 146 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 92.3±3.0 dyne/cm
Molar Volume: 203.3±3.0 cm3

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