ChemSpider 2D Image | (5beta,17beta)-17-Hydroxy-2-(methylsulfonyl)-4,5-epoxyandrostan-3-one | C20H30O5S

(5β,17β)-17-Hydroxy-2-(methylsulfonyl)-4,5-epoxyandrostan-3-one

  • Molecular FormulaC20H30O5S
  • Average mass382.514 Da
  • Monoisotopic mass382.181396 Da
  • ChemSpider ID31106617

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(5β,17β)-17-Hydroxy-2-(methylsulfonyl)-4,5-epoxyandrostan-3-on [German] [ACD/IUPAC Name]
(5β,17β)-17-Hydroxy-2-(methylsulfonyl)-4,5-epoxyandrostan-3-one [ACD/IUPAC Name]
(5β,17β)-17-Hydroxy-2-(méthylsulfonyl)-4,5-époxyandrostan-3-one [French] [ACD/IUPAC Name]
Androstan-3-one, 4,5-epoxy-17-hydroxy-2-(methylsulfonyl)-, (5β,17β)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 586.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 308.3±30.1 °C
Index of Refraction: 1.585
Molar Refractivity: 96.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.95
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.26
ACD/KOC (pH 5.5): 98.20
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.26
ACD/KOC (pH 7.4): 98.20
Polar Surface Area: 92 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 288.1±5.0 cm3

Click to predict properties on the Chemicalize site


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