ChemSpider 2D Image | 4-[(Z)-2-(3,5-Dihydroxyphenyl)vinyl]phenyl beta-D-glucopyranosiduronic acid | C20H20O9

4-[(Z)-2-(3,5-Dihydroxyphenyl)vinyl]phenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC20H20O9
  • Average mass404.367 Da
  • Monoisotopic mass404.110718 Da
  • ChemSpider ID30777613

  • 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

4-[(Z)-2-(3,5-Dihydroxyphenyl)vinyl]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[(Z)-2-(3,5-Dihydroxyphenyl)vinyl]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 4-[(Z)-2-(3,5-dihydroxyphényl)vinyl]phényle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenyl [ACD/Index Name]
(2S,3S,4S,5R,6S)-6-{4-[(Z)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
387372-26-1 [RN]
cis-Resveratrol 4'-O-glucuronide

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: 750.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 268.8±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: 0.63
ACD/LogD (pH 5.5): -2.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.43
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


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