ChemSpider 2D Image | (8xi,9xi,10alpha,14xi,17xi)-3,20-Dioxopregn-4-en-21-yl acetate | C23H32O4

(8ξ,9ξ,10α,14ξ,17ξ)-3,20-Dioxopregn-4-en-21-yl acetate

  • Molecular FormulaC23H32O4
  • Average mass372.498 Da
  • Monoisotopic mass372.230072 Da
  • ChemSpider ID26359904
  • defined stereocentres - 2 of 6 defined stereocentres


More details:






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

(8ξ,9ξ,10α,14ξ,17ξ)-3,20-Dioxopregn-4-en-21-yl acetate [ACD/IUPAC Name]
(8ξ,9ξ,10α,14ξ,17ξ)-3,20-Dioxopregn-4-en-21-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8ξ,9ξ,10α,14ξ,17ξ)-3,20-dioxoprégn-4-én-21-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-, (8ξ,9ξ,10α,14ξ,17ξ)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 504.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 218.0±30.2 °C
Index of Refraction: 1.542
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 433.58
ACD/KOC (pH 5.5): 2686.71
ACD/LogD (pH 7.4): 3.77
ACD/BCF (pH 7.4): 433.58
ACD/KOC (pH 7.4): 2686.71
Polar Surface Area: 60 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 44.5±5.0 dyne/cm
Molar Volume: 324.3±5.0 cm3

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