ChemSpider 2D Image | (2E)-3-[4-(beta-D-Glucopyranosyloxy)-3-hydroxyphenyl]acrylic acid | C15H18O9

(2E)-3-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]acrylic acid

  • Molecular FormulaC15H18O9
  • Average mass342.298 Da
  • Monoisotopic mass342.095093 Da
  • ChemSpider ID31129888

  • 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

(2E)-3-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]acrylic acid [ACD/IUPAC Name]
(2E)-3-[4-(β-D-Glucopyranosyloxy)-3-hydroxyphenyl]acrylsäure [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]-, (2E)- [ACD/Index Name]
Acide (2E)-3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphényl]acrylique [French] [ACD/IUPAC Name]
(2E)-3-[4-(β-D-glucopyranosyloxy)-3-hydroxyphenyl]prop-2-enoic acid
(E)-4-O-(β-D-glucopyranosyl)caffeic acid
(E)-caffeic acid 4-O-β-D-glucopyranoside
4-O-(β-D-glucopyranosyl)-E-caffeic acid
4-O-β-d-glucopyranosylcaffeic acid
4'-O-β-D-glucopyranosylcaffeic acid
More...

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

Density: 1.6±0.1 g/cm3
Boiling Point: 689.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.1±3.0 kJ/mol
Flash Point: 257.0±25.0 °C
Index of Refraction: 1.699
Molar Refractivity: 81.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.27
ACD/LogD (pH 5.5): -2.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.23
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 83.8±3.0 dyne/cm
Molar Volume: 210.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement