ChemSpider 2D Image | (2Z,5alpha,10xi,13xi,17beta)-17-Hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one | C21H32O3

(2Z,5α,10ξ,13ξ,17β)-17-Hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one

  • Molecular FormulaC21H32O3
  • Average mass332.477 Da
  • Monoisotopic mass332.235138 Da
  • ChemSpider ID78429285

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(2Z,5α,10ξ,13ξ,17β)-17-Hydroxy-2-(hydroxymethylen)-17-methylandrostan-3-on [German] [ACD/IUPAC Name]
(2Z,5α,10ξ,13ξ,17β)-17-Hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one [ACD/IUPAC Name]
(2Z,5α,10ξ,13ξ,17β)-17-Hydroxy-2-(hydroxyméthylène)-17-méthylandrostan-3-one [French] [ACD/IUPAC Name]
Androstan-3-one, 17-hydroxy-2-(hydroxymethylene)-17-methyl-, (2Z,5α,10ξ,13ξ,17β)- [ACD/Index 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: 465.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.9±6.0 kJ/mol
Flash Point: 249.7±25.2 °C
Index of Refraction: 1.590
Molar Refractivity: 95.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 30.55
ACD/KOC (pH 5.5): 203.48
ACD/LogD (pH 7.4): 0.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.51
Polar Surface Area: 58 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 50.3±3.0 dyne/cm
Molar Volume: 284.3±3.0 cm3

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