ChemSpider 2D Image | 4-Oxo-4-{[(8alpha,10alpha,13alpha,17alpha)-3-oxoandrost-4-en-17-yl]oxy}butanoic acid | C23H32O5

4-Oxo-4-{[(8α,10α,13α,17α)-3-oxoandrost-4-en-17-yl]oxy}butanoic acid

  • Molecular FormulaC23H32O5
  • Average mass388.497 Da
  • Monoisotopic mass388.224976 Da
  • ChemSpider ID58838881

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4-Oxo-4-{[(8α,10α,13α,17α)-3-oxoandrost-4-en-17-yl]oxy}butanoic acid [ACD/IUPAC Name]
4-Oxo-4-{[(8α,10α,13α,17α)-3-oxoandrost-4-en-17-yl]oxy}butansäure [German] [ACD/IUPAC Name]
Acide 4-oxo-4-{[(8α,10α,13α,17α)-3-oxoandrost-4-én-17-yl]oxy}butanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(8α,10α,13α,17α)-3-oxoandrost-4-en-17-yl] ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 555.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 91.5±6.0 kJ/mol
Flash Point: 189.1±23.6 °C
Index of Refraction: 1.558
Molar Refractivity: 103.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 23.94
ACD/KOC (pH 5.5): 161.32
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.57
Polar Surface Area: 81 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 49.9±5.0 dyne/cm
Molar Volume: 321.6±5.0 cm3

Click to predict properties on the Chemicalize site


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