ChemSpider 2D Image | [(11beta,17alpha)-11,17-Dihydroxy-3-oxoandrost-4-en-17-yl]methyl butyrate | C24H36O5

[(11β,17α)-11,17-Dihydroxy-3-oxoandrost-4-en-17-yl]methyl butyrate

  • Molecular FormulaC24H36O5
  • Average mass404.540 Da
  • Monoisotopic mass404.256287 Da
  • ChemSpider ID21477349
  • defined stereocentres - 7 of 7 defined stereocentres


More details:






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

[(11β,17α)-11,17-Dihydroxy-3-oxoandrost-4-en-17-yl]methyl butyrate [ACD/IUPAC Name]
[(11β,17α)-11,17-Dihydroxy-3-oxoandrost-4-en-17-yl]methylbutyrat [German] [ACD/IUPAC Name]
Butanoic acid, [(11β,17α)-11,17-dihydroxy-3-oxoandrost-4-en-17-yl]methyl ester [ACD/Index Name]
Butyrate de [(11β,17α)-11,17-dihydroxy-3-oxoandrost-4-én-17-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 547.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 95.0±6.0 kJ/mol
Flash Point: 181.7±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 109.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 3.18
ACD/BCF (pH 5.5): 154.72
ACD/KOC (pH 5.5): 1284.97
ACD/LogD (pH 7.4): 3.18
ACD/BCF (pH 7.4): 154.72
ACD/KOC (pH 7.4): 1284.97
Polar Surface Area: 84 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 338.6±5.0 cm3

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