ChemSpider 2D Image | (5alpha,8xi,9xi,10xi,13xi,14xi,17xi)-3,20-Dioxopregnan-21-yl acetate | C23H34O4

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-3,20-Dioxopregnan-21-yl acetate

  • Molecular FormulaC23H34O4
  • Average mass374.514 Da
  • Monoisotopic mass374.245697 Da
  • ChemSpider ID22889811

  • defined stereocentres - 1 of 7 defined stereocentres

More details:

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

(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-3,20-Dioxopregnan-21-yl acetate [ACD/IUPAC Name]
(5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-3,20-Dioxopregnan-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)-3,20-dioxoprégnan-21-yle [French] [ACD/IUPAC Name]
Pregnane-3,20-dione, 21-(acetyloxy)-, (5α,8ξ,9ξ,10ξ,13ξ,14ξ,17ξ)- [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: 486.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.2±3.0 kJ/mol
Flash Point: 209.6±27.4 °C
Index of Refraction: 1.516
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 713.18
ACD/KOC (pH 5.5): 3836.37
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 713.18
ACD/KOC (pH 7.4): 3836.37
Polar Surface Area: 60 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 338.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement