ChemSpider 2D Image | Androst-4-en-3-one-16,16,17-d3, 17-(3-cyclopentyl-1-oxopropoxy)-, (17β)- | C27H37D3O3

Androst-4-en-3-one-16,16,17-d3, 17-(3-cyclopentyl-1-oxopropoxy)-, (17β)-

  • Molecular FormulaC27H37D3O3
  • Average mass415.623 Da
  • Monoisotopic mass415.316589 Da
  • ChemSpider ID48063864

  • 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-Oxo(16,16,17-2H3)androst-4-en-17-yl 3-cyclopentylpropanoate [ACD/IUPAC Name]
(17β)-3-Oxo(16,16,17-2H3)androst-4-en-17-yl-3-cyclopentylpropanoat [German] [ACD/IUPAC Name]
3-Cyclopentylpropanoate de (17β)-3-oxo(16,16,17-2H3)androst-4-én-17-yle [French] [ACD/IUPAC Name]
876054-56-7 [RN]
Androst-4-en-3-one-16,16,17-d3, 17-(3-cyclopentyl-1-oxopropoxy)-, (17β)-
Cyclopentanepropanoic acid, (17β)-3-oxoandrost-4-en-17-yl-16,16,17-d3 ester [ACD/Index Name]
[(8R,9S,10R,13S,14S,17S)-16,16,17-trideuterio-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 525.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 223.9±30.2 °C
Index of Refraction: 1.546
Molar Refractivity: 118.4±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.93
ACD/LogD (pH 5.5): 6.07
ACD/BCF (pH 5.5): 24161.61
ACD/KOC (pH 5.5): 47755.91
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24161.61
ACD/KOC (pH 7.4): 47755.91
Polar Surface Area: 43 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 43.7±5.0 dyne/cm
Molar Volume: 373.8±5.0 cm3

Click to predict properties on the Chemicalize site


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