ChemSpider 2D Image | 2-{3-[(1R,5S,6R)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl}-3,7-dihydroxy-4H-chromen-4-one | C35H28O11

2-{3-[(1R,5S,6R)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl}-3,7-dihydroxy-4H-chromen-4-one

  • Molecular FormulaC35H28O11
  • Average mass624.590 Da
  • Monoisotopic mass624.163147 Da
  • ChemSpider ID9414046

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-{3-[(1R,5S,6R)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl}-3,7-dihydroxy-4H-chromen-4-on [German] [ACD/IUPAC Name]
2-{3-[(1R,5S,6R)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl}-3,7-dihydroxy-4H-chromen-4-one [ACD/IUPAC Name]
2-{3-[(1R,5S,6R)-6-(2,4-Dihydroxybenzoyl)-5-(2,4-dihydroxyphényl)-3-méthyl-2-cyclohexén-1-yl]-2,4-dihydroxyphényl}-3,7-dihydroxy-4H-chromén-4-one [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3,7-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: 951.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.3±3.0 kJ/mol
Flash Point: 308.2±27.8 °C
Index of Refraction: 1.759
Molar Refractivity: 163.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 4
ACD/LogP: 5.43
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2486.49
ACD/KOC (pH 5.5): 9235.39
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 299.76
ACD/KOC (pH 7.4): 1113.36
Polar Surface Area: 205 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 87.9±3.0 dyne/cm
Molar Volume: 396.9±3.0 cm3

Click to predict properties on the Chemicalize site


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