ChemSpider 2D Image | (3S)-19-Hydroxy(3,7,7-~2~H_3_)androst-5-en-17-one | C19H25D3O2

(3S)-19-Hydroxy(3,7,7-2H3)androst-5-en-17-one

  • Molecular FormulaC19H25D3O2
  • Average mass291.443 Da
  • Monoisotopic mass291.227753 Da
  • ChemSpider ID8978835

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3S)-19-Hydroxy(3,7,7-2H3)androst-5-en-17-on [German] [ACD/IUPAC Name]
(3S)-19-Hydroxy(3,7,7-2H3)androst-5-en-17-one [ACD/IUPAC Name]
(3S)-19-Hydroxy(3,7,7-2H3)androst-5-én-17-one [French] [ACD/IUPAC Name]
Androst-5-en-17-one-3,7,7-d3, 19-hydroxy-, (3S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 434.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±6.0 kJ/mol
Flash Point: 185.2±21.3 °C
Index of Refraction: 1.562
Molar Refractivity: 83.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 239.43
ACD/KOC (pH 5.5): 1756.37
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 239.43
ACD/KOC (pH 7.4): 1756.37
Polar Surface Area: 37 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 256.3±5.0 cm3

Click to predict properties on the Chemicalize site


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