ChemSpider 2D Image | 8-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one | C31H20O10

8-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one

  • Molecular FormulaC31H20O10
  • Average mass552.484 Da
  • Monoisotopic mass552.105652 Da
  • ChemSpider ID58120658

More details:

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

4H-1-Benzopyran-4-one, 8-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-3-(4-methoxyphenyl)- [ACD/Index Name]
8-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
8-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one [ACD/IUPAC Name]
8-[5-(5,7-Dihydroxy-4-oxo-4H-chromén-2-yl)-2-hydroxyphényl]-5,7-dihydroxy-3-(4-méthoxyphényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3344312/

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

Density: 1.6±0.1 g/cm3
Boiling Point: 879.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.2±3.0 kJ/mol
Flash Point: 295.2±27.8 °C
Index of Refraction: 1.750
Molar Refractivity: 142.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 4.11
ACD/BCF (pH 5.5): 668.38
ACD/KOC (pH 5.5): 3036.90
ACD/LogD (pH 7.4): 1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.79
Polar Surface Area: 163 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 81.4±3.0 dyne/cm
Molar Volume: 350.5±3.0 cm3

Click to predict properties on the Chemicalize site


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