ChemSpider 2D Image | 2IB71ZQ989 | C19H28O2


  • Molecular FormulaC19H28O2
  • Average mass288.424 Da
  • Monoisotopic mass288.208923 Da
  • ChemSpider ID20045328
  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(5β,17β)-17-Hydroxyandrost-1-en-3-on [German] [ACD/IUPAC Name]
(5β,17β)-17-Hydroxyandrost-1-en-3-one [ACD/IUPAC Name]
(5β,17β)-17-Hydroxyandrost-1-én-3-one [French] [ACD/IUPAC Name]
10529-96-1 [RN]
5β-Androst-1-en-3-one, 17β-hydroxy-
Androst-1-en-3-one, 17-hydroxy-, (5β,17β)-
Androst-1-en-3-one, 17-hydroxy-, (5β,17β)- [ACD/Index Name]

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

  • Miscellaneous
    • Chemical Class:

      A 3-oxo <greek>Delta</greek><smallsup>1</smallsup>-steroid with 5<stereo>beta</stereo>-configuration formed from 17<stereo>beta</stereo>-hydroxyandrosta-1,4-dien-3-one by reduction across the C4-C5 do uble bond. ChEBI CHEBI:87331
      A 3-oxo Delta1-steroid with 5beta-configuration formed from 17beta-hydroxyandrosta-1,4-dien-3-one by reduction across the C4-C5 do; uble bond. ChEBI

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

Density: 1.1±0.1 g/cm3
Boiling Point: 420.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.9±6.0 kJ/mol
Flash Point: 179.5±21.3 °C
Index of Refraction: 1.550
Molar Refractivity: 83.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 134.24
ACD/KOC (pH 5.5): 1160.80
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 134.24
ACD/KOC (pH 7.4): 1160.80
Polar Surface Area: 37 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 42.3±3.0 dyne/cm
Molar Volume: 260.9±3.0 cm3

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