ChemSpider 2D Image | 17-[(~2~H_3_)Methyloxy]pregn-4-ene-3,20-dione | C22H29D3O3

17-[(2H3)Methyloxy]pregn-4-ene-3,20-dione

  • Molecular FormulaC22H29D3O3
  • Average mass347.506 Da
  • Monoisotopic mass347.253967 Da
  • ChemSpider ID107449611

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

17-[(2H3)Methyloxy]pregn-4-en-3,20-dion [German] [ACD/IUPAC Name]
17-[(2H3)Methyloxy]pregn-4-ene-3,20-dione [ACD/IUPAC Name]
17-[(2H3)Méthyloxy]prégn-4-ène-3,20-dione [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 17-(methyl-d3-oxy)- [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: 464.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.6±3.0 kJ/mol
Flash Point: 201.0±28.8 °C
Index of Refraction: 1.539
Molar Refractivity: 97.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.60
ACD/BCF (pH 5.5): 322.45
ACD/KOC (pH 5.5): 2173.51
ACD/LogD (pH 7.4): 3.60
ACD/BCF (pH 7.4): 322.45
ACD/KOC (pH 7.4): 2173.51
Polar Surface Area: 43 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 41.8±5.0 dyne/cm
Molar Volume: 311.0±5.0 cm3

Click to predict properties on the Chemicalize site


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