ChemSpider 2D Image | [2-{2,6-Dihydroxy-4-[6-hydroxy-7-(3-methyl-2-buten-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)methanone | C39H36O9

[2-{2,6-Dihydroxy-4-[6-hydroxy-7-(3-methyl-2-buten-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)methanone

  • Molecular FormulaC39H36O9
  • Average mass648.698 Da
  • Monoisotopic mass648.235962 Da
  • ChemSpider ID57440410

More details:

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

[2-{2,6-Dihydroxy-4-[6-hydroxy-7-(3-methyl-2-buten-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)methanon [German] [ACD/IUPAC Name]
[2-{2,6-Dihydroxy-4-[6-hydroxy-7-(3-methyl-2-buten-1-yl)-1-benzofuran-2-yl]phenyl}-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)methanone [ACD/IUPAC Name]
[2-{2,6-Dihydroxy-4-[6-hydroxy-7-(3-méthyl-2-butén-1-yl)-1-benzofuran-2-yl]phényl}-6-(2,4-dihydroxyphényl)-4-méthyl-3-cyclohexén-1-yl](2,4-dihydroxyphényl)méthanone [French] [ACD/IUPAC Name]
Methanone, [2-[2,6-dihydroxy-4-[6-hydroxy-7-(3-methyl-2-buten-1-yl)-2-benzofuranyl]phenyl]-6-(2,4-dihydroxyphenyl)-4-methyl-3-cyclohexen-1-yl](2,4-dihydroxyphenyl)- [ACD/Index Name]
MULBERROFURAN U

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

Density: 1.4±0.1 g/cm3
Boiling Point: 836.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.7±3.0 kJ/mol
Flash Point: 459.6±34.3 °C
Index of Refraction: 1.700
Molar Refractivity: 181.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 7.84
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 209363.47
ACD/KOC (pH 5.5): 223266.25
ACD/LogD (pH 7.4): 7.01
ACD/BCF (pH 7.4): 105559.68
ACD/KOC (pH 7.4): 112569.37
Polar Surface Area: 172 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 67.3±3.0 dyne/cm
Molar Volume: 470.1±3.0 cm3

Click to predict properties on the Chemicalize site


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