ChemSpider 2D Image | (4alpha,5alpha)-4-Methylergosta-7,9(11),24(28)-trien-3-one | C29H44O

(4α,5α)-4-Methylergosta-7,9(11),24(28)-trien-3-one

  • Molecular FormulaC29H44O
  • Average mass408.659 Da
  • Monoisotopic mass408.339203 Da
  • ChemSpider ID128437806

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4α,5α)-4-Methylergosta-7,9(11),24(28)-trien-3-on [German] [ACD/IUPAC Name]
(4α,5α)-4-Methylergosta-7,9(11),24(28)-trien-3-one [ACD/IUPAC Name]
(4α,5α)-4-Méthylergosta-7,9(11),24(28)-trién-3-one [French] [ACD/IUPAC Name]
Ergosta-7,9(11),24(28)-trien-3-one, 4-methyl-, (4α,5α)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 512.6±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±3.0 kJ/mol
Flash Point: 215.5±24.8 °C
Index of Refraction: 1.531
Molar Refractivity: 127.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.53
ACD/LogD (pH 5.5): 8.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 698634.00
ACD/LogD (pH 7.4): 8.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 698634.00
Polar Surface Area: 17 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 36.9±5.0 dyne/cm
Molar Volume: 411.0±5.0 cm3

Click to predict properties on the Chemicalize site


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