ChemSpider 2D Image | (4E,9R,11R)-9,11-Dihydroxy-4-methyl-4-triaconten-3-one | C31H60O3

(4E,9R,11R)-9,11-Dihydroxy-4-methyl-4-triaconten-3-one

  • Molecular FormulaC31H60O3
  • Average mass480.806 Da
  • Monoisotopic mass480.454254 Da
  • ChemSpider ID58837924

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4E,9R,11R)-9,11-Dihydroxy-4-methyl-4-triaconten-3-on [German] [ACD/IUPAC Name]
(4E,9R,11R)-9,11-Dihydroxy-4-methyl-4-triaconten-3-one [ACD/IUPAC Name]
(4E,9R,11R)-9,11-Dihydroxy-4-méthyl-4-triacontén-3-one [French] [ACD/IUPAC Name]
4-Triaconten-3-one, 9,11-dihydroxy-4-methyl-, (4E,9R,11R)- [ACD/Index Name]
(4E)-9,11-dihydroxy-4-methyl-triacont-4-en-3-one
C31-phthiodiolenone A

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

Density: 0.9±0.1 g/cm3
Boiling Point: 603.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 103.0±6.0 kJ/mol
Flash Point: 333.0±28.0 °C
Index of Refraction: 1.476
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 26
#Rule of 5 Violations: 1
ACD/LogP: 10.71
ACD/LogD (pH 5.5): 10.27
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 9206350.00
ACD/LogD (pH 7.4): 10.27
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 9206350.00
Polar Surface Area: 58 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 35.2±3.0 dyne/cm
Molar Volume: 526.5±3.0 cm3

Click to predict properties on the Chemicalize site


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