ChemSpider 2D Image | Methyl (2E)-3-[4-(beta-D-glucopyranosyloxy)-3-methoxyphenyl]acrylate | C17H22O9

Methyl (2E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]acrylate

  • Molecular FormulaC17H22O9
  • Average mass370.351 Da
  • Monoisotopic mass370.126373 Da
  • ChemSpider ID84487425

  • 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-méthoxyphényl]acrylate de méthyle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]-, methyl ester, (2E)- [ACD/Index Name]
Methyl (2E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]acrylate [ACD/IUPAC Name]
Methyl-(2E)-3-[4-(β-D-glucopyranosyloxy)-3-methoxyphenyl]acrylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 606.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 218.7±25.0 °C
Index of Refraction: 1.612
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.03
ACD/LogD (pH 5.5): -0.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.97
ACD/LogD (pH 7.4): -0.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.97
Polar Surface Area: 135 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 261.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement