ChemSpider 2D Image | (3beta,5alpha)-3-Hydroxy(2,2,3,4,4-~2~H_5_)pregnan-20-one | C21H29D5O2

(3β,5α)-3-Hydroxy(2,2,3,4,4-2H5)pregnan-20-one

  • Molecular FormulaC21H29D5O2
  • Average mass323.524 Da
  • Monoisotopic mass323.287262 Da
  • ChemSpider ID34979867
  • defined stereocentres - 8 of 8 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

(3β,5α)-3-Hydroxy(2,2,3,4,4-2H5)pregnan-20-on [German] [ACD/IUPAC Name]
(3β,5α)-3-Hydroxy(2,2,3,4,4-2H5)pregnan-20-one [ACD/IUPAC Name]
(3β,5α)-3-Hydroxy(2,2,3,4,4-2H5)prégnan-20-one [French] [ACD/IUPAC Name]
Pregnan-20-one-2,2,3,4,4-d5, 3-hydroxy-, (3β,5α)- [ACD/Index Name]
Allopregnanolone - d5

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

CCRIS 4693 [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Bio Activity:

      Deuterated allopregnanolone (Cat. No. 3653) Tocris Bioscience 5532
      Deuterated allopregnanolone (Cat. No. 3653). Tocris Bioscience 5532
      Deuterated allopregnanolone. Allopregnanolone also available. Tocris Bioscience 5532
      Reagents Tocris Bioscience 5532
      Stable Isotopically Labeled Compounds Tocris Bioscience 5532

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

Density: 1.1±0.1 g/cm3
Boiling Point: 431.2±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 79.3±6.0 kJ/mol
Flash Point: 183.9±13.8 °C
Index of Refraction: 1.524
Molar Refractivity: 92.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1046.69
ACD/KOC (pH 5.5): 5048.77
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1046.69
ACD/KOC (pH 7.4): 5048.77
Polar Surface Area: 37 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 302.4±3.0 cm3

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