ChemSpider 2D Image | 4-[(E)-2-Carboxyvinyl]-2-hydroxyphenyl beta-D-glucopyranosiduronic acid | C15H16O10

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

  • Molecular FormulaC15H16O10
  • Average mass356.281 Da
  • Monoisotopic mass356.074341 Da
  • ChemSpider ID30777606

  • 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)-3-hydroxyphenyl]-, (2E)- [ACD/Index Name]
4-[(E)-2-Carboxyvinyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-[(E)-2-Carboxyvinyl]-2-hydroxyphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 4-[(E)-2-carboxyvinyl]-2-hydroxyphényle [French] [ACD/IUPAC Name]
(2S,3S,4S,5R,6S)-6-(4-((E)-2-Carboxyvinyl)-2-hydroxyphenoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid
(2S,3S,4S,5R,6S)-6-{4-[(1E)-2-carboxyeth-1-en-1-yl]-2-hydroxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
1093679-71-0 [RN]
4-[(E)-2-Carboxyethenyl]-2-hydroxyphenyl β-D-glucopyranosiduronic acid
Caffeic Acid 4-β-D-Glucuronide
Caffeic acid 4-O-glucuronide
More...

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

  • Miscellaneous

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

Density: 1.7±0.1 g/cm3
Boiling Point: 749.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 278.7±26.4 °C
Index of Refraction: 1.726
Molar Refractivity: 81.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.43
ACD/LogD (pH 5.5): -5.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 110.2±3.0 dyne/cm
Molar Volume: 204.2±3.0 cm3

Click to predict properties on the Chemicalize site


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