ChemSpider 2D Image | Bis[(3beta,8xi,9xi,14xi)-17-oxoandrost-5-en-3-yl] succinate | C42H58O6

Bis[(3β,8ξ,9ξ,14ξ)-17-oxoandrost-5-en-3-yl] succinate

  • Molecular FormulaC42H58O6
  • Average mass658.906 Da
  • Monoisotopic mass658.423340 Da
  • ChemSpider ID8659869

  • defined stereocentres - 6 of 12 defined stereocentres

More details:

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

Bis[(3β,8ξ,9ξ,14ξ)-17-oxoandrost-5-en-3-yl] succinate [ACD/IUPAC Name]
Bis[(3β,8ξ,9ξ,14ξ)-17-oxoandrost-5-en-3-yl]-succinat [German] [ACD/IUPAC Name]
Butanedioic acid, bis[(3β,8ξ,9ξ,14ξ)-17-oxoandrost-5-en-3-yl] ester [ACD/Index Name]
Succinate de bis[(3β,8ξ,9ξ,14ξ)-17-oxoandrost-5-én-3-yle] [French] [ACD/IUPAC 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: 732.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 295.5±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 183.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 8.40
ACD/LogD (pH 5.5): 7.64
ACD/BCF (pH 5.5): 378529.91
ACD/KOC (pH 5.5): 342276.50
ACD/LogD (pH 7.4): 7.64
ACD/BCF (pH 7.4): 378529.91
ACD/KOC (pH 7.4): 342276.50
Polar Surface Area: 87 Å2
Polarizability: 72.7±0.5 10-24cm3
Surface Tension: 50.4±5.0 dyne/cm
Molar Volume: 553.7±5.0 cm3

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