ChemSpider 2D Image | 4,5-Dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl octacosanoate | C43H66O5

4,5-Dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl octacosanoate

  • Molecular FormulaC43H66O5
  • Average mass662.981 Da
  • Monoisotopic mass662.491028 Da
  • ChemSpider ID4478869

More details:






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

4,5-Dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl octacosanoate [ACD/IUPAC Name]
4,5-Dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl-octacosanoat [German] [ACD/IUPAC Name]
Octacosanoate de 4,5-dihydroxy-2-méthyl-10-oxo-9,10-dihydro-9-anthracényle [French] [ACD/IUPAC Name]
Octacosanoic acid, 9,10-dihydro-4,5-dihydroxy-2-methyl-10-oxo-9-anthracenyl ester [ACD/Index Name]
Revandchinone 2

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 733.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.8±3.0 kJ/mol
Flash Point: 208.7±26.4 °C
Index of Refraction: 1.546
Molar Refractivity: 198.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 2
ACD/LogP: 17.48
ACD/LogD (pH 5.5): 15.65
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 14.92
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 84 Å2
Polarizability: 78.5±0.5 10-24cm3
Surface Tension: 47.8±5.0 dyne/cm
Molar Volume: 625.3±5.0 cm3

Click to predict properties on the Chemicalize site






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