ChemSpider 2D Image | (3alpha,9beta,14beta,16beta)-17-Hydroxy-16-methyl-20-oxopregn-5-en-3-yl acetate | C24H36O4

(3α,9β,14β,16β)-17-Hydroxy-16-methyl-20-oxopregn-5-en-3-yl acetate

  • Molecular FormulaC24H36O4
  • Average mass388.540 Da
  • Monoisotopic mass388.261353 Da
  • ChemSpider ID62527599

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3α,8α,9β,14β,16α)-17-Hydroxy-16-methyl-20-oxopregn-5-en-3-yl acetate [ACD/IUPAC Name]
(3α,8α,9β,14β,16α)-17-Hydroxy-16-methyl-20-oxopregn-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
(3α,9β,14β,16β)-17-Hydroxy-16-methyl-20-oxopregn-5-en-3-yl acetate [ACD/IUPAC Name]
(3α,9β,14β,16β)-17-Hydroxy-16-methyl-20-oxopregn-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3α,8α,9β,14β,16α)-17-hydroxy-16-méthyl-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Acétate de (3α,9β,14β,16β)-17-hydroxy-16-méthyl-20-oxoprégn-5-én-3-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 3-(acetyloxy)-17-hydroxy-16-methyl-, (3α,8α,9β,14β,16α)- [ACD/Index Name]
Pregn-5-en-20-one, 3-(acetyloxy)-17-hydroxy-16-methyl-, (3α,9β,14β,16β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 491.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.4±6.0 kJ/mol
Flash Point: 160.1±22.2 °C
Index of Refraction: 1.545
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2048.17
ACD/KOC (pH 5.5): 8163.43
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2048.17
ACD/KOC (pH 7.4): 8163.41
Polar Surface Area: 64 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 44.6±5.0 dyne/cm
Molar Volume: 341.9±5.0 cm3

Click to predict properties on the Chemicalize site


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