ChemSpider 2D Image | (8xi,9xi,14xi,17beta)-17-Hydroxy-10-sulfanylestr-4-en-3-one | C18H26O2S

(8ξ,9ξ,14ξ,17β)-17-Hydroxy-10-sulfanylestr-4-en-3-one

  • Molecular FormulaC18H26O2S
  • Average mass306.463 Da
  • Monoisotopic mass306.165344 Da
  • ChemSpider ID23158988
  • defined stereocentres - 3 of 6 defined stereocentres


More details:






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

(8ξ,9ξ,14ξ,17β)-17-Hydroxy-10-sulfanylestr-4-en-3-on [German] [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,17β)-17-Hydroxy-10-sulfanylestr-4-en-3-one [ACD/IUPAC Name]
(8ξ,9ξ,14ξ,17β)-17-Hydroxy-10-sulfanylestr-4-én-3-one [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-hydroxy-10-mercapto-, (8ξ,9ξ,14ξ,17β)- [ACD/Index Name]
17-Hydroxy-10-mercapto-13-methyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 470.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.5±6.0 kJ/mol
Flash Point: 238.4±28.7 °C
Index of Refraction: 1.593
Molar Refractivity: 86.3±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.22
ACD/KOC (pH 5.5): 968.42
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 103.86
ACD/KOC (pH 7.4): 965.06
Polar Surface Area: 76 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 49.6±5.0 dyne/cm
Molar Volume: 254.9±5.0 cm3

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