ChemSpider 2D Image | (2R)-1-Butoxy-3-(3,4-dihydroxyphenyl)-1-oxo-2-propanyl (2E)-3-[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]acrylate | C28H34O13

(2R)-1-Butoxy-3-(3,4-dihydroxyphenyl)-1-oxo-2-propanyl (2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]acrylate

  • Molecular FormulaC28H34O13
  • Average mass578.562 Da
  • Monoisotopic mass578.199951 Da
  • ChemSpider ID29416511

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2E)-3-[3-(β-D-Glucopyranosyloxy)-4-hydroxyphényl]acrylate de (2R)-1-butoxy-3-(3,4-dihydroxyphényl)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
(2R)-1-Butoxy-3-(3,4-dihydroxyphenyl)-1-oxo-2-propanyl (2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]acrylate [ACD/IUPAC Name]
(2R)-1-Butoxy-3-(3,4-dihydroxyphenyl)-1-oxo-2-propanyl-(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]acrylat [German] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(2E)-3-[3-(β-D-glucopyranosyloxy)-4-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, butyl ester, (αR)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 845.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±3.0 kJ/mol
Flash Point: 276.6±27.8 °C
Index of Refraction: 1.646
Molar Refractivity: 143.9±0.3 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 1.06
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.78
ACD/KOC (pH 5.5): 52.55
ACD/LogD (pH 7.4): 0.62
ACD/BCF (pH 7.4): 1.71
ACD/KOC (pH 7.4): 50.52
Polar Surface Area: 213 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 69.1±3.0 dyne/cm
Molar Volume: 396.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement