ChemSpider 2D Image | (3beta,8xi,9xi,10alpha,13alpha,14xi)-7,17-Dioxoandrost-5-en-3-yl acetate | C21H28O4

(3β,8ξ,9ξ,10α,13α,14ξ)-7,17-Dioxoandrost-5-en-3-yl acetate

  • Molecular FormulaC21H28O4
  • Average mass344.445 Da
  • Monoisotopic mass344.198761 Da
  • ChemSpider ID21503935

  • defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(3β,8ξ,9ξ,10α,13α,14ξ)-7,17-Dioxoandrost-5-en-3-yl acetate [ACD/IUPAC Name]
(3β,8ξ,9ξ,10α,13α,14ξ)-7,17-Dioxoandrost-5-en-3-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,8ξ,9ξ,10α,13α,14ξ)-7,17-dioxoandrost-5-én-3-yle [French] [ACD/IUPAC Name]
Androst-5-ene-7,17-dione, 3-(acetyloxy)-, (3β,8ξ,9ξ,10α,13α,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: 479.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.4±3.0 kJ/mol
Flash Point: 209.2±28.8 °C
Index of Refraction: 1.549
Molar Refractivity: 92.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.48
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.26
ACD/KOC (pH 5.5): 700.28
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.26
ACD/KOC (pH 7.4): 700.28
Polar Surface Area: 60 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 291.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement