ChemSpider 2D Image | (8xi,9xi,14xi,17beta)-3-Oxoandrosta-1,4-dien-17-yl 10-undecenoate | C30H44O3

(8ξ,9ξ,14ξ,17β)-3-Oxoandrosta-1,4-dien-17-yl 10-undecenoate

  • Molecular FormulaC30H44O3
  • Average mass452.669 Da
  • Monoisotopic mass452.329041 Da
  • ChemSpider ID23089516

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(8ξ,9ξ,14ξ,17β)-3-Oxoandrosta-1,4-dien-17-yl 10-undecenoate [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,17β)-3-Oxoandrosta-1,4-dien-17-yl-10-undecenoat [German] [ACD/IUPAC Name]
10-Undécénoate de (8ξ,9ξ,14ξ,17β)-3-oxoandrosta-1,4-dién-17-yle [French] [ACD/IUPAC Name]
10-Undecenoic acid, (8ξ,9ξ,14ξ,17β)-3-oxoandrosta-1,4-dien-17-yl ester [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: 553.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.4±3.0 kJ/mol
Flash Point: 232.2±30.2 °C
Index of Refraction: 1.537
Molar Refractivity: 134.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.67
ACD/LogD (pH 5.5): 7.83
ACD/BCF (pH 5.5): 526643.94
ACD/KOC (pH 5.5): 433544.28
ACD/LogD (pH 7.4): 7.83
ACD/BCF (pH 7.4): 526643.94
ACD/KOC (pH 7.4): 433544.28
Polar Surface Area: 43 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 41.7±5.0 dyne/cm
Molar Volume: 428.9±5.0 cm3

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