ChemSpider 2D Image | 3-[2',6-Dihydroxy-5'-(7-hydroxy-4-oxo-4H-chromen-3-yl)-3-biphenylyl]-5,7-dihydroxy-4H-chromen-4-one | C30H18O9

3-[2',6-Dihydroxy-5'-(7-hydroxy-4-oxo-4H-chromen-3-yl)-3-biphenylyl]-5,7-dihydroxy-4H-chromen-4-one

  • Molecular FormulaC30H18O9
  • Average mass522.458 Da
  • Monoisotopic mass522.095093 Da
  • ChemSpider ID8090349

More details:

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

3-[2',6-Dihydroxy-5'-(7-hydroxy-4-oxo-4H-chromen-3-yl)-3-biphenylyl]-5,7-dihydroxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-[2',6-Dihydroxy-5'-(7-hydroxy-4-oxo-4H-chromen-3-yl)-3-biphenylyl]-5,7-dihydroxy-4H-chromen-4-one [ACD/IUPAC Name]
3-[2',6-Dihydroxy-5'-(7-hydroxy-4-oxo-4H-chromén-3-yl)-3-biphénylyl]-5,7-dihydroxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[2',6-dihydroxy-5'-(7-hydroxy-4-oxo-4H-1-benzopyran-3-yl)[1,1'-biphenyl]-3-yl]-5,7-dihydroxy- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 868.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.5±3.0 kJ/mol
Flash Point: 295.2±27.8 °C
Index of Refraction: 1.774
Molar Refractivity: 136.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 4.68
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 431.77
ACD/KOC (pH 5.5): 2308.09
ACD/LogD (pH 7.4): 1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.84
Polar Surface Area: 154 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 86.0±3.0 dyne/cm
Molar Volume: 326.5±3.0 cm3

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