ChemSpider 2D Image | (17beta)-3-Oxoandrost-4-en-17-yl (3,3,3-~2~H_3_)propanoate | C22H29D3O3

(17β)-3-Oxoandrost-4-en-17-yl (3,3,3-2H3)propanoate

  • Molecular FormulaC22H29D3O3
  • Average mass347.506 Da
  • Monoisotopic mass347.253967 Da
  • ChemSpider ID58784820
  • 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)-3-Oxoandrost-4-en-17-yl (3,3,3-2H3)propanoate [ACD/IUPAC Name]
(17β)-3-Oxoandrost-4-en-17-yl-(3,3,3-2H3)propanoat [German] [ACD/IUPAC Name]
(3,3,3-2H3)Propanoate de (17β)-3-oxoandrost-4-én-17-yle [French] [ACD/IUPAC Name]
Propanoic-3,3,3-d3 acid, (17β)-3-oxoandrost-4-en-17-yl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 454.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.4±3.0 kJ/mol
Flash Point: 196.3±28.8 °C
Index of Refraction: 1.538
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.90
ACD/LogD (pH 5.5): 4.30
ACD/BCF (pH 5.5): 1096.41
ACD/KOC (pH 5.5): 5219.31
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 1096.41
ACD/KOC (pH 7.4): 5219.31
Polar Surface Area: 43 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 311.2±5.0 cm3

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