ChemSpider 2D Image | 4-[(E)-2-Carboxyvinyl]phenyl beta-D-glucopyranosiduronic acid | C15H16O9

4-[(E)-2-Carboxyvinyl]phenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC15H16O9
  • Average mass340.282 Da
  • Monoisotopic mass340.079437 Da
  • ChemSpider ID57422696
  • 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

2-Propenoic acid, 3-[4-(β-D-glucopyranuronosyloxy)phenyl]-, (2E)- [ACD/Index Name]
4-[(E)-2-Carboxyvinyl]phenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[(E)-2-Carboxyvinyl]phenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 4-[(E)-2-carboxyvinyl]phényle [French] [ACD/IUPAC Name]
(2S,3S,4S,5R,6S)-6-(4-(2-Carboxyvinyl)phenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
214689-30-2 [RN]
4-[(E)-2-Carboxyethenyl]phenyl β-D-glucopyranosiduronic acid
p-Coumaric Acid 4-O-β-D-Glucuronide
p-Coumaric Acid 4-O-β-D-Glucuronide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 688.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 257.9±25.0 °C
Index of Refraction: 1.697
Molar Refractivity: 79.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.64
ACD/LogD (pH 5.5): -4.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 97.4±3.0 dyne/cm
Molar Volume: 205.8±3.0 cm3

Click to predict properties on the Chemicalize site






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