ChemSpider 2D Image | 3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C31H28O14

3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC31H28O14
  • Average mass624.546 Da
  • Monoisotopic mass624.147888 Da
  • ChemSpider ID8659460

  • 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

3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl 6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-yl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-7-[[6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]- [ACD/Index Name]
6-O-[(2E)-3-(4-Hydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 3,5-dihydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
BUDDLENOID B

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

Density: 1.6±0.1 g/cm3
Boiling Point: 945.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.2±3.0 kJ/mol
Flash Point: 308.8±27.8 °C
Index of Refraction: 1.724
Molar Refractivity: 154.2±0.3 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.83
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 8.65
ACD/KOC (pH 5.5): 150.59
ACD/LogD (pH 7.4): 0.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.12
Polar Surface Area: 222 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 88.4±3.0 dyne/cm
Molar Volume: 388.5±3.0 cm3

Click to predict properties on the Chemicalize site


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