ChemSpider 2D Image | trans-isoeugenol-O-glucuronide | C16H20O8

trans-isoeugenol-O-glucuronide

  • Molecular FormulaC16H20O8
  • Average mass340.325 Da
  • Monoisotopic mass340.115814 Da
  • ChemSpider ID35031681

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2-Methoxy-4-[(1E)-1-propen-1-yl]phenyl α-D-glucopyranosiduronic acid [ACD/IUPAC Name]
2-Methoxy-4-[(1E)-1-propen-1-yl]phenyl-α-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide α-D-glucopyranosiduronique de 2-méthoxy-4-[(1E)-1-propén-1-yl]phényle [French] [ACD/IUPAC Name]
trans-isoeugenol-O-glucuronide
α-D-Glucopyranosiduronic acid, 2-methoxy-4-[(1E)-1-propen-1-yl]phenyl [ACD/Index Name]
(2S,3S,4S,5R)-3,4,5-trihydroxy-6-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}oxane-2-carboxylic acid

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 602.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.3±3.0 kJ/mol
Flash Point: 221.8±25.0 °C
Index of Refraction: 1.637
Molar Refractivity: 84.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.20
ACD/LogD (pH 5.5): -3.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 126 Å2
Polarizability: 33.5±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 235.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement