ChemSpider 2D Image | 3-[(5alpha,16alpha,17beta)-17-Hydroxy-3-oxoandrostan-16-yl]propyl thiocyanate | C23H35NO2S

3-[(5α,16α,17β)-17-Hydroxy-3-oxoandrostan-16-yl]propyl thiocyanate

  • Molecular FormulaC23H35NO2S
  • Average mass389.595 Da
  • Monoisotopic mass389.238861 Da
  • ChemSpider ID23285109

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

3-[(5α,16α,17β)-17-Hydroxy-3-oxoandrostan-16-yl]propyl thiocyanate [ACD/IUPAC Name]
3-[(5α,16α,17β)-17-Hydroxy-3-oxoandrostan-16-yl]propylthiocyanat [German] [ACD/IUPAC Name]
Thiocyanate de 3-[(5α,16α,17β)-17-hydroxy-3-oxoandrostan-16-yl]propyle [French] [ACD/IUPAC Name]
Thiocyanic acid, 3-[(5α,16α,17β)-17-hydroxy-3-oxoandrostan-16-yl]propyl ester [ACD/Index Name]
16a-(3'-thiocyanatopropyl)-17bhydroxy-5a-androstan-3-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 542.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.3±6.0 kJ/mol
Flash Point: 281.7±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 110.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1032.99
ACD/KOC (pH 5.5): 5001.37
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1032.99
ACD/KOC (pH 7.4): 5001.37
Polar Surface Area: 86 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 345.6±3.0 cm3

Click to predict properties on the Chemicalize site


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