ChemSpider 2D Image | 3-{2-(3,4-Dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-oxo-4H-furo[3,2-c]pyran-3-yl}-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromene-1,6-dione | C33H18O13

3-{2-(3,4-Dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-oxo-4H-furo[3,2-c]pyran-3-yl}-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromene-1,6-dione

  • Molecular FormulaC33H18O13
  • Average mass622.488 Da
  • Monoisotopic mass622.074768 Da
  • ChemSpider ID17267228

  • Double-bond stereo - Double-bond stereo

More details:

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1H,6H-Pyrano[4,3-c][2]benzopyran-1,6-dione, 3-[2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-oxo-4H-furo[3,2-c]pyran-3-yl]-8,9-dihydroxy- [ACD/Index Name]
3-{2-(3,4-dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-oxo-4H-furo[3,2-c]pyran-3-yl}-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromene-1,6-dione
3-{2-(3,4-Dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-oxo-4H-furo[3,2-c]pyran-3-yl}-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromen-1,6-dion [German] [ACD/IUPAC Name]
3-{2-(3,4-Dihydroxyphenyl)-6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-oxo-4H-furo[3,2-c]pyran-3-yl}-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromene-1,6-dione [ACD/IUPAC Name]
3-{2-(3,4-Dihydroxyphényl)-6-[(E)-2-(3,4-dihydroxyphényl)vinyl]-4-oxo-4H-furo[3,2-c]pyran-3-yl}-8,9-dihydroxy-1H,6H-pyrano[4,3-c]isochromène-1,6-dione [French] [ACD/IUPAC Name]
8,9-dihydroxy-3-{2-(3,4-dihydroxyphenyl)-6-(5,6-dihydroxystyryl)furo-[3,2-c]pyran-4-oxo-3-yl}pyrano[4,3-c]isochromen-4-one
phelligridin H

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1128.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 172.0±3.0 kJ/mol
Flash Point: 636.4±34.3 °C
Index of Refraction: 1.874
Molar Refractivity: 151.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 179.72
ACD/KOC (pH 5.5): 1405.68
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 30.66
ACD/KOC (pH 7.4): 239.79
Polar Surface Area: 213 Å2
Polarizability: 60.1±0.5 10-24cm3
Surface Tension: 132.3±5.0 dyne/cm
Molar Volume: 332.9±5.0 cm3

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