ChemSpider 2D Image | 3-[(1Z,3Z)-1-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxo-1,3-hexadien-2-yl]-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one | C25H20O9

3-[(1Z,3Z)-1-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxo-1,3-hexadien-2-yl]-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one

  • Molecular FormulaC25H20O9
  • Average mass464.421 Da
  • Monoisotopic mass464.110718 Da
  • ChemSpider ID23283928

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyran-2-one, 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-[(1Z,2Z)-1-[(3,4-dihydroxyphenyl)methylene]-2-hydroxy-4-oxo-2-penten-1-yl]-4-hydroxy- [ACD/Index Name]
3-[(1Z,3Z)-1-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxo-1,3-hexadien-2-yl]-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-on [German] [ACD/IUPAC Name]
3-[(1Z,3Z)-1-(3,4-Dihydroxyphenyl)-3-hydroxy-5-oxo-1,3-hexadien-2-yl]-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one [ACD/IUPAC Name]
3-[(1Z,3Z)-1-(3,4-Dihydroxyphényl)-3-hydroxy-5-oxo-1,3-hexadién-2-yl]-6-[(E)-2-(3,4-dihydroxyphényl)vinyl]-4-hydroxy-2H-pyran-2-one [French] [ACD/IUPAC Name]
6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3-[(1Z,3Z)-1-(3,4-dihydroxyphenyl)-3-hydroxy-5-oxohexa-1,3-dien-2-yl]-4-hydroxy-2H-pyran-2-one
interfungin A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 707.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.6±3.0 kJ/mol
Flash Point: 242.7±26.4 °C
Index of Refraction: 1.839
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 27.11
ACD/LogD (pH 7.4): -1.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 107.6±3.0 dyne/cm
Molar Volume: 283.7±3.0 cm3

Click to predict properties on the Chemicalize site


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