ChemSpider 2D Image | 3-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one | C30H18O10

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

  • Molecular FormulaC30H18O10
  • Average mass538.458 Da
  • Monoisotopic mass538.090027 Da
  • ChemSpider ID23324473

More details:

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

3-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-on [German] [ACD/IUPAC Name]
3-[5-(5,7-Dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one [ACD/IUPAC Name]
3-[5-(5,7-Dihydroxy-4-oxo-4H-chromén-2-yl)-2-hydroxyphényl]-5,7-dihydroxy-2-(4-hydroxyphényl)-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[5-(5,7-dihydroxy-4-oxo-4H-1-benzopyran-2-yl)-2-hydroxyphenyl]-5,7-dihydroxy-2-(4-hydroxyphenyl)- [ACD/Index Name]
27090-22-8 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL272861/
taiwaniaflavone

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

Density: 1.7±0.1 g/cm3
Boiling Point: 904.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.0±3.0 kJ/mol
Flash Point: 306.5±27.8 °C
Index of Refraction: 1.802
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 4
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 960.77
ACD/KOC (pH 5.5): 4310.90
ACD/LogD (pH 7.4): 1.78
ACD/BCF (pH 7.4): 3.11
ACD/KOC (pH 7.4): 13.98
Polar Surface Area: 174 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 96.0±3.0 dyne/cm
Molar Volume: 321.9±3.0 cm3

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