ChemSpider 2D Image | 4-[(E)-{5-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-2-(2,4-dihydroxyphenyl)-3-methyl-3-cyclohexen-1-ylidene}(hydroxy)methyl]-2-(3-methyl-2-buten-1-yl)-1,3-benzenediol | C39H36O9

4-[(E)-{5-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-2-(2,4-dihydroxyphenyl)-3-methyl-3-cyclohexen-1-ylidene}(hydroxy)methyl]-2-(3-methyl-2-buten-1-yl)-1,3-benzenediol

  • Molecular FormulaC39H36O9
  • Average mass648.698 Da
  • Monoisotopic mass648.235962 Da
  • ChemSpider ID95617511

More details:

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

1,3-Benzenediol, 4-[(E)-[5-[2,6-dihydroxy-4-(6-hydroxy-2-benzofuranyl)phenyl]-2-(2,4-dihydroxyphenyl)-3-methyl-3-cyclohexen-1-ylidene]hydroxymethyl]-2-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
4-[(E)-{5-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-2-(2,4-dihydroxyphenyl)-3-methyl-3-cyclohexen-1-yliden}(hydroxy)methyl]-2-(3-methyl-2-buten-1-yl)-1,3-benzoldiol [German] [ACD/IUPAC Name]
4-[(E)-{5-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phenyl]-2-(2,4-dihydroxyphenyl)-3-methyl-3-cyclohexen-1-ylidene}(hydroxy)methyl]-2-(3-methyl-2-buten-1-yl)-1,3-benzenediol [ACD/IUPAC Name]
4-[(E)-{5-[2,6-Dihydroxy-4-(6-hydroxy-1-benzofuran-2-yl)phényl]-2-(2,4-dihydroxyphényl)-3-méthyl-3-cyclohexén-1-ylidène}(hydroxy)méthyl]-2-(3-méthyl-2-butén-1-yl)-1,3-benzènediol [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 840.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.3±3.0 kJ/mol
Flash Point: 461.8±34.3 °C
Index of Refraction: 1.723
Molar Refractivity: 182.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 8.23
ACD/LogD (pH 5.5): 7.05
ACD/BCF (pH 5.5): 133322.72
ACD/KOC (pH 5.5): 162141.14
ACD/LogD (pH 7.4): 7.02
ACD/BCF (pH 7.4): 125928.32
ACD/KOC (pH 7.4): 153148.41
Polar Surface Area: 175 Å2
Polarizability: 72.5±0.5 10-24cm3
Surface Tension: 71.1±3.0 dyne/cm
Molar Volume: 461.7±3.0 cm3

Click to predict properties on the Chemicalize site


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