ChemSpider 2D Image | 3,5-Dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl D-glucopyranoside | C21H22O10

3,5-Dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl D-glucopyranoside

  • Molecular FormulaC21H22O10
  • Average mass434.393 Da
  • Monoisotopic mass434.121307 Da
  • ChemSpider ID58829941

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2-Propen-1-one, 1-[2-(D-glucopyranosyloxy)-4,6-dihydroxyphenyl]-3-(4-hydroxyphenyl)-, (2E)- [ACD/Index Name]
3,5-Dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]phenyl-D-glucopyranosid [German] [ACD/IUPAC Name]
D-Glucopyranoside de 3,5-dihydroxy-2-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]phényle [French] [ACD/IUPAC Name]
chalcone 2'-O-glucoside

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

Density: 1.6±0.1 g/cm3
Boiling Point: 771.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.9±3.0 kJ/mol
Flash Point: 272.3±26.4 °C
Index of Refraction: 1.728
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.27
ACD/KOC (pH 5.5): 40.57
ACD/LogD (pH 7.4): -0.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.86
Polar Surface Area: 177 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 84.8±3.0 dyne/cm
Molar Volume: 272.2±3.0 cm3

Click to predict properties on the Chemicalize site


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