ChemSpider 2D Image | cis-Resveratrol 3-O-glucuronide | C20H20O9

cis-Resveratrol 3-O-glucuronide

  • Molecular FormulaC20H20O9
  • Average mass404.367 Da
  • Monoisotopic mass404.110718 Da
  • ChemSpider ID30777610

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

3-Hydroxy-5-[(Z)-2-(4-hydroxyphenyl)vinyl]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
3-Hydroxy-5-[(Z)-2-(4-hydroxyphenyl)vinyl]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 3-hydroxy-5-[(Z)-2-(4-hydroxyphényl)vinyl]phényle [French] [ACD/IUPAC Name]
cis-Resveratrol 3-O-glucuronide
β-D-Glucopyranosiduronic acid, 3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl [ACD/Index Name]
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid
387372-23-8 [RN]
3-hydroxy-5-[(Z)-2-(4-hydroxyphenyl)ethenyl]phenyl β-D-glucopyranosiduronic 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: 1.6±0.1 g/cm3
Boiling Point: 758.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.9±3.0 kJ/mol
Flash Point: 271.6±26.4 °C
Index of Refraction: 1.760
Molar Refractivity: 103.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -2.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 98.5±3.0 dyne/cm
Molar Volume: 250.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement