ChemSpider 2D Image | 3,3'-(1,1-Ethanediyl)bis{6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one} | C28H22O10

3,3'-(1,1-Ethanediyl)bis{6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one}

  • Molecular FormulaC28H22O10
  • Average mass518.468 Da
  • Monoisotopic mass518.121277 Da
  • ChemSpider ID30823716

  • Double-bond stereo - Double-bond stereo

More details:

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

2H-Pyran-2-one, 3,3'-ethylidenebis[6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy- [ACD/Index Name]
3,3'-(1,1-Ethandiyl)bis{6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-on} [German] [ACD/IUPAC Name]
3,3'-(1,1-Ethanediyl)bis{6-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-4-hydroxy-2H-pyran-2-one} [ACD/IUPAC Name]
3,3'-(1,1-Éthanediyl)bis{6-[(E)-2-(3,4-dihydroxyphényl)vinyl]-4-hydroxy-2H-pyran-2-one} [French] [ACD/IUPAC Name]
Pinillidine

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

Density: 1.7±0.1 g/cm3
Boiling Point: 817.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 124.6±3.0 kJ/mol
Flash Point: 276.1±27.8 °C
Index of Refraction: 1.903
Molar Refractivity: 140.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.20
ACD/LogD (pH 7.4): -2.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 174 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 124.8±3.0 dyne/cm
Molar Volume: 301.2±3.0 cm3

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