ChemSpider 2D Image | 2-methoxyacetaminophen glucuronide | C15H19NO9

2-methoxyacetaminophen glucuronide

  • Molecular FormulaC15H19NO9
  • Average mass357.313 Da
  • Monoisotopic mass357.105988 Da
  • ChemSpider ID58163585

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-methoxyacetaminophen glucuronide
4-(Acetylamino)-3-methoxyphenyl β-D-glucopyranosiduronic acid
4-Acetamido-3-methoxyphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-Acetamido-3-methoxyphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
53446-12-1 [RN]
Acetamide, N-[4-(β-D-glucopyranuronosyloxy)-2-methoxyphenyl]- [ACD/Index Name]
Acide β-D-glucopyranosiduronique de 4-acétamido-3-méthoxyphényle [French] [ACD/IUPAC Name]
(2S,3S,4S,5R,6S)-6-(4-acetamido-3-methoxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
2-methoxyacetaminophen O-β-D-glucosiduronic acid
2-methoxyacetaminophen β-D-glucuronide

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

  • Miscellaneous

    • Chemical Class:

      A <stereo>beta</stereo>-<stereo>D</stereo>-glucosiduronic acid that is 2-methoxyacetaminophen in which the phenolic hydrogen is replaced by a <stereo>beta</stereo>-<stereo>D</stereo>-glucuronosyl grou p. ChEBI CHEBI:133005
      A beta-D-glucosiduronic acid that is 2-methoxyacetaminophen in which the phenolic hydrogen is replaced by a beta-D-glucuronosyl grou; p. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:133005
      A beta-D-glucosiduronic acid that is 2-methoxyacetaminophen in which the phenolic hydrogen is replaced by a beta-D-glucuronosyl group. ChEBI CHEBI:133005

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

Density: 1.6±0.1 g/cm3
Boiling Point: 683.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.9±31.5 °C
Index of Refraction: 1.649
Molar Refractivity: 82.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.04
ACD/LogD (pH 5.5): -4.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 84.3±3.0 dyne/cm
Molar Volume: 227.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement