ChemSpider 2D Image | 3-Hydroxy-16-methyl-20-oxopregn-5-en-21-yl acetate | C24H36O4

3-Hydroxy-16-methyl-20-oxopregn-5-en-21-yl acetate

  • Molecular FormulaC24H36O4
  • Average mass388.540 Da
  • Monoisotopic mass388.261353 Da
  • ChemSpider ID32696560

  • defined stereocentres - 6 of 8 defined stereocentres

More details:

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

3-Hydroxy-16-methyl-20-oxopregn-5-en-21-yl acetate [ACD/IUPAC Name]
3-Hydroxy-16-methyl-20-oxopregn-5-en-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-hydroxy-16-méthyl-20-oxoprégn-5-én-21-yle [French] [ACD/IUPAC Name]
Pregn-5-en-20-one, 21-(acetyloxy)-3-hydroxy-16-methyl- [ACD/Index Name]
(3β,16α)-3-OH-16-methyl-20-oxopregn-5-en-21-ylacetate
1173-09-7 [RN]
3,21-DiOH-16-methylpregn-5-en-20-one 21-acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 506.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.3±6.0 kJ/mol
Flash Point: 166.1±23.6 °C
Index of Refraction: 1.545
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2264.49
ACD/KOC (pH 5.5): 8771.71
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2264.49
ACD/KOC (pH 7.4): 8771.71
Polar Surface Area: 64 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 44.9±5.0 dyne/cm
Molar Volume: 342.1±5.0 cm3

Click to predict properties on the Chemicalize site


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