ChemSpider 2D Image | (17beta)-17-[(~2~H_3_)Methyloxy]androsta-1,4-dien-3-one | C20H25D3O2

(17β)-17-[(2H3)Methyloxy]androsta-1,4-dien-3-one

  • Molecular FormulaC20H25D3O2
  • Average mass303.454 Da
  • Monoisotopic mass303.227753 Da
  • ChemSpider ID58784984
  • 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

(17β)-17-[(2H3)Methyloxy]androsta-1,4-dien-3-on [German] [ACD/IUPAC Name]
(17β)-17-[(2H3)Methyloxy]androsta-1,4-dien-3-one [ACD/IUPAC Name]
(17β)-17-[(2H3)Méthyloxy]androsta-1,4-dién-3-one [French] [ACD/IUPAC Name]
Androsta-1,4-dien-3-one, 17-(methyl-d3-oxy)-, (17β)- [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: 416.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.9±3.0 kJ/mol
Flash Point: 168.5±22.3 °C
Index of Refraction: 1.551
Molar Refractivity: 87.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 510.97
ACD/KOC (pH 5.5): 3021.85
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 510.97
ACD/KOC (pH 7.4): 3021.85
Polar Surface Area: 26 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 275.2±5.0 cm3

Click to predict properties on the Chemicalize site






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