ChemSpider 2D Image | 4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-2,3-dihydroxyphenyl 4-O-acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranoside | C32H30O14

4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-2,3-dihydroxyphenyl 4-O-acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside

  • Molecular FormulaC32H30O14
  • Average mass638.572 Da
  • Monoisotopic mass638.163574 Da
  • ChemSpider ID8547356

  • 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

2-Propen-1-one, 1-[4-[[4-O-acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-β-D-glucopyranosyl]oxy]-2,3-dihydroxyphenyl]-3-(3,4-dihydroxyphenyl)-, (2E)- [ACD/Index Name]
4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-2,3-dihydroxyphenyl 4-O-acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranoside [ACD/IUPAC Name]
4-[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]-2,3-dihydroxyphenyl-4-O-acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4-O-Acétyl-6-O-[(2E)-3-(4-hydroxyphényl)-2-propenoyl]-β-D-glucopyranoside de 4-[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]-2,3-dihydroxyphényle [French] [ACD/IUPAC Name]
(E)-((2R,3S,4R,5R,6S)-3-acetoxy-6-(4-((E)-3-(3,4-dihydroxyphenyl)acryloyl)-2,3-dihydroxyphenoxy)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)methyl 3-(4-hydroxyphenyl)acrylate
4-[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenyl 4-O-acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-β-D-glucopyranoside
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL454529/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 937.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.9±3.0 kJ/mol
Flash Point: 302.6±27.8 °C
Index of Refraction: 1.713
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 24.54
ACD/KOC (pH 5.5): 339.98
ACD/LogD (pH 7.4): 1.51
ACD/BCF (pH 7.4): 5.82
ACD/KOC (pH 7.4): 80.64
Polar Surface Area: 230 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 96.4±5.0 dyne/cm
Molar Volume: 399.8±5.0 cm3

Click to predict properties on the Chemicalize site


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