ChemSpider 2D Image | (8xi,14xi,17beta)-3-Oxoandrosta-4,9(11)-dien-17-yl heptanoate | C26H38O3

(8ξ,14ξ,17β)-3-Oxoandrosta-4,9(11)-dien-17-yl heptanoate

  • Molecular FormulaC26H38O3
  • Average mass398.578 Da
  • Monoisotopic mass398.282104 Da
  • ChemSpider ID58780425

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(8ξ,14ξ,17β)-3-Oxoandrosta-4,9(11)-dien-17-yl heptanoate [ACD/IUPAC Name]
(8ξ,14ξ,17β)-3-Oxoandrosta-4,9(11)-dien-17-yl-heptanoat [German] [ACD/IUPAC Name]
Heptanoate de (8ξ,14ξ,17β)-3-oxoandrosta-4,9(11)-dién-17-yle [French] [ACD/IUPAC Name]
Heptanoic acid, (8ξ,14ξ,17β)-3-oxoandrosta-4,9(11)-dien-17-yl ester [ACD/Index Name]
119698-27-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 514.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.6±3.0 kJ/mol
Flash Point: 219.5±30.2 °C
Index of Refraction: 1.540
Molar Refractivity: 115.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.65
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 43365.80
ACD/KOC (pH 5.5): 72585.98
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 43365.80
ACD/KOC (pH 7.4): 72585.98
Polar Surface Area: 43 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 368.4±5.0 cm3

Click to predict properties on the Chemicalize site


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