ChemSpider 2D Image | (8xi,9xi,14xi)-3,17-Dioxoandrost-4-en-4-yl acetate | C21H28O4

(8ξ,9ξ,14ξ)-3,17-Dioxoandrost-4-en-4-yl acetate

  • Molecular FormulaC21H28O4
  • Average mass344.445 Da
  • Monoisotopic mass344.198761 Da
  • ChemSpider ID30650406

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ)-3,17-Dioxoandrost-4-en-4-yl acetate [ACD/IUPAC Name]
(8ξ,9ξ,14ξ)-3,17-Dioxoandrost-4-en-4-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (8ξ,9ξ,14ξ)-3,17-dioxoandrost-4-én-4-yle [French] [ACD/IUPAC Name]
Androst-4-ene-3,17-dione, 4-(acetyloxy)-, (8ξ,9ξ,14ξ)- [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: 501.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 219.2±30.2 °C
Index of Refraction: 1.549
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 119.10
ACD/KOC (pH 5.5): 1065.47
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 119.10
ACD/KOC (pH 7.4): 1065.47
Polar Surface Area: 60 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 45.4±5.0 dyne/cm
Molar Volume: 291.2±5.0 cm3

Click to predict properties on the Chemicalize site


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