ChemSpider 2D Image | 5β-Pregnan-3α-ol-20-one-17α,21,21,21-d4 | C21H30D4O2

5β-Pregnan-3α-ol-20-one-17α,21,21,21-d4

  • Molecular FormulaC21H30D4O2
  • Average mass322.518 Da
  • Monoisotopic mass322.280975 Da
  • ChemSpider ID34998277

  • 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

(3α,5β)-3-Hydroxy(17,21,21,21-2H4)pregnan-20-on [German] [ACD/IUPAC Name]
(3α,5β)-3-Hydroxy(17,21,21,21-2H4)pregnan-20-one [ACD/IUPAC Name]
(3α,5β)-3-Hydroxy(17,21,21,21-2H4)prégnan-20-one [French] [ACD/IUPAC Name]
5β-Pregnan-3α-ol-20-one-17α,21,21,21-d4
96737-93-8 [RN]
Pregnan-20-one-17,21,21,21-d4, 3-hydroxy-, (3α,5β)- [ACD/Index Name]
5β-Pregnan-3α-ol-20-one-17α,21,21,21-d4
5β-Pregnan-3α-ol-20-one-d4 (contains 10% toluene)

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

Click to predict properties on the Chemicalize site


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