ChemSpider 2D Image | (5alpha,8xi,14xi,16alpha)-17-Hydroxy-16-methyl-3,20-dioxopregn-9(11)-en-21-yl acetate | C24H34O5

(5α,8ξ,14ξ,16α)-17-Hydroxy-16-methyl-3,20-dioxopregn-9(11)-en-21-yl acetate

  • Molecular FormulaC24H34O5
  • Average mass402.524 Da
  • Monoisotopic mass402.240631 Da
  • ChemSpider ID71292145

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(5α,8ξ,14ξ,16α)-17-Hydroxy-16-methyl-3,20-dioxopregn-9(11)-en-21-yl acetate [ACD/IUPAC Name]
(5α,8ξ,14ξ,16α)-17-Hydroxy-16-methyl-3,20-dioxopregn-9(11)-en-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,8ξ,14ξ,16α)-17-hydroxy-16-méthyl-3,20-dioxoprégn-9(11)-én-21-yle [French] [ACD/IUPAC Name]
Pregn-9(11)-ene-3,20-dione, 21-(acetyloxy)-17-hydroxy-16-methyl-, (5α,8ξ,14ξ,16α)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 535.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 93.4±6.0 kJ/mol
Flash Point: 177.9±23.6 °C
Index of Refraction: 1.553
Molar Refractivity: 108.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.44
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 458.56
ACD/KOC (pH 5.5): 2796.60
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 458.55
ACD/KOC (pH 7.4): 2796.58
Polar Surface Area: 81 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 338.1±5.0 cm3

Click to predict properties on the Chemicalize site


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