ChemSpider 2D Image | 3-(alpha-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl (2E)-3-(4-hydroxyphenyl)acrylate | C30H26O13

3-(α-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl (2E)-3-(4-hydroxyphenyl)acrylate

  • Molecular FormulaC30H26O13
  • Average mass594.520 Da
  • Monoisotopic mass594.137329 Da
  • ChemSpider ID8591498

  • 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-Hydroxyphényl)acrylate de 3-(α-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphényl)-4-oxo-4H-chromén-5-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 3-(α-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-5-yl ester, (2E)- [ACD/Index Name]
3-(α-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl (2E)-3-(4-hydroxyphenyl)acrylate [ACD/IUPAC Name]
3-(α-D-Glucopyranosyloxy)-7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-yl-(2E)-3-(4-hydroxyphenyl)acrylat [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 961.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.7±3.0 kJ/mol
Flash Point: 317.7±27.8 °C
Index of Refraction: 1.759
Molar Refractivity: 144.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 1.41
ACD/BCF (pH 5.5): 6.22
ACD/KOC (pH 5.5): 111.95
ACD/LogD (pH 7.4): -0.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.65
Polar Surface Area: 213 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 106.7±5.0 dyne/cm
Molar Volume: 352.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement