ChemSpider 2D Image | (3beta)-3-Hydroxy(17-~2~H)pregn-5-en-20-one | C21H31DO2

(3β)-3-Hydroxy(17-2H)pregn-5-en-20-one

  • Molecular FormulaC21H31DO2
  • Average mass317.484 Da
  • Monoisotopic mass317.246521 Da
  • ChemSpider ID57268817

  • defined stereocentres - 7 of 7 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3β)-3-Hydroxy(17-2H)pregn-5-en-20-on [German] [ACD/IUPAC Name]
(3β)-3-Hydroxy(17-2H)pregn-5-en-20-one [ACD/IUPAC Name]
(3β)-3-Hydroxy(17-2H)prégn-5-én-20-one [French] [ACD/IUPAC Name]
Pregn-5-en-20-one-17-d, 3-hydroxy-, (3β)- [ACD/Index Name]
61574-54-7 [RN]
Pregnenolone-17α,21,21,21-d4
Pregnenolone-d4

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

Density: 1.1±0.1 g/cm3
Boiling Point: 443.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.9±6.0 kJ/mol
Flash Point: 188.9±21.3 °C
Index of Refraction: 1.550
Molar Refractivity: 92.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1076.52
ACD/KOC (pH 5.5): 5151.34
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1076.52
ACD/KOC (pH 7.4): 5151.34
Polar Surface Area: 37 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 290.0±5.0 cm3

Click to predict properties on the Chemicalize site


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