ChemSpider 2D Image | 17a-Hydroxypregnolone | C21H34O3

17a-Hydroxypregnolone

  • Molecular FormulaC21H34O3
  • Average mass334.493 Da
  • Monoisotopic mass334.250793 Da
  • ChemSpider ID17215939
  • defined stereocentres - 6 of 8 defined stereocentres


More details:






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

17a-Hydroxypregnolone
3,17-Dihydroxypregnan-2-on [German] [ACD/IUPAC Name]
3,17-Dihydroxypregnan-2-one [ACD/IUPAC Name]
3,17-Dihydroxyprégnan-2-one [French] [ACD/IUPAC Name]
387-79-1 [RN]
Pregnan-2-one, 3,17-dihydroxy- [ACD/Index Name]
17a-Hydroxypregnenolone
17-Hydroxy-D5-pregnenolone
17-hydroxypregnenolone
17-OH-pregnenolone
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 468.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.2±6.0 kJ/mol
Flash Point: 251.0±23.8 °C
Index of Refraction: 1.540
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 240.65
ACD/KOC (pH 5.5): 1762.78
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 240.65
ACD/KOC (pH 7.4): 1762.77
Polar Surface Area: 58 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 43.3±3.0 dyne/cm
Molar Volume: 300.6±3.0 cm3

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