ChemSpider 2D Image | 5-[(E)-2-Carboxyvinyl]-2-methoxyphenyl beta-D-glucopyranosiduronic acid | C16H18O10

5-[(E)-2-Carboxyvinyl]-2-methoxyphenyl β-D-glucopyranosiduronic acid

  • Molecular FormulaC16H18O10
  • Average mass370.308 Da
  • Monoisotopic mass370.089996 Da
  • ChemSpider ID30777633

  • 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-[3-(β-D-glucopyranuronosyloxy)-4-methoxyphenyl]-, (2E)- [ACD/Index Name]
5-[(E)-2-Carboxyvinyl]-2-methoxyphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
5-[(E)-2-Carboxyvinyl]-2-methoxyphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide β-D-glucopyranosiduronique de 5-[(E)-2-carboxyvinyl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
(2S,3S,4S,5R,6S)-6-{5-[(1E)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
1065272-10-7 [RN]
5-[(E)-2-Carboxyethenyl]-2-methoxyphenyl β-D-glucopyranosiduronic acid
Isoferulic acid 3-glucuronide
Isoferulic acid 3-O-glucuronide
Isoferulic Acid 3-O-β-D-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: 1.6±0.1 g/cm3
Boiling Point: 695.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 255.5±25.0 °C
Index of Refraction: 1.671
Molar Refractivity: 86.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -1.04
ACD/LogD (pH 5.5): -5.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 34.1±0.5 10-24cm3
Surface Tension: 88.6±3.0 dyne/cm
Molar Volume: 229.8±3.0 cm3

Click to predict properties on the Chemicalize site


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