ChemSpider 2D Image | Ethyl (2Z)-3-(3,4-dihydroxyphenyl)-2-{6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}acrylate | C24H20O9

Ethyl (2Z)-3-(3,4-dihydroxyphenyl)-2-{6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}acrylate

  • Molecular FormulaC24H20O9
  • Average mass452.410 Da
  • Monoisotopic mass452.110718 Da
  • ChemSpider ID26336888

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(3,4-Dihydroxyphényl)-2-{6-[(E)-2-(3,4-dihydroxyphényl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}acrylate d'éthyle [French] [ACD/IUPAC Name]
2H-Pyran-3-acetic acid, 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-α-[(3,4-dihydroxyphenyl)methylene]-4-hydroxy-2-oxo-, ethyl ester, (αZ)- [ACD/Index Name]
Ethyl (2Z)-3-(3,4-dihydroxyphenyl)-2-{6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}acrylate [ACD/IUPAC Name]
Ethyl-(2Z)-3-(3,4-dihydroxyphenyl)-2-{6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}acrylat [German] [ACD/IUPAC Name]
Phellibaumin E

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

Density: 1.6±0.1 g/cm3
Boiling Point: 734.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 254.8±26.4 °C
Index of Refraction: 1.804
Molar Refractivity: 121.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 2.85
ACD/KOC (pH 5.5): 42.19
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 99.7±3.0 dyne/cm
Molar Volume: 282.7±3.0 cm3

Click to predict properties on the Chemicalize site


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