ChemSpider 2D Image | (2Z)-3-(3,4-Dihydroxyphenyl)-2-{6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}acrylic acid | C22H16O9

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

  • Molecular FormulaC22H16O9
  • Average mass424.357 Da
  • Monoisotopic mass424.079437 Da
  • ChemSpider ID26336826

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-3-(3,4-Dihydroxyphenyl)-2-{6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}acrylic acid [ACD/IUPAC Name]
(2Z)-3-(3,4-Dihydroxyphenyl)-2-{6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}acrylsäure [German] [ACD/IUPAC Name]
2H-Pyran-3-acetic acid, 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-α-[(3,4-dihydroxyphenyl)methylene]-4-hydroxy-2-oxo-, (αZ)- [ACD/Index Name]
Acide (2Z)-3-(3,4-dihydroxyphényl)-2-{6-[(E)-2-(3,4-dihydroxyphényl)vinyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}acrylique [French] [ACD/IUPAC Name]
Phellibaumin D

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

Density: 1.8±0.1 g/cm3
Boiling Point: 687.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 243.1±25.0 °C
Index of Refraction: 1.897
Molar Refractivity: 111.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 2.06
ACD/LogD (pH 5.5): -1.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 127.9±3.0 dyne/cm
Molar Volume: 240.8±3.0 cm3

Click to predict properties on the Chemicalize site


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