ChemSpider 2D Image | 4-Oxo-4-{[(13xi,17beta)-3-oxoestr-4-en-17-yl]oxy}butanoic acid | C22H30O5

4-Oxo-4-{[(13ξ,17β)-3-oxoestr-4-en-17-yl]oxy}butanoic acid

  • Molecular FormulaC22H30O5
  • Average mass374.471 Da
  • Monoisotopic mass374.209320 Da
  • ChemSpider ID58818048

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4-Oxo-4-{[(13ξ,17β)-3-oxoestr-4-en-17-yl]oxy}butanoic acid [ACD/IUPAC Name]
4-Oxo-4-{[(13ξ,17β)-3-oxoestr-4-en-17-yl]oxy}butansäure [German] [ACD/IUPAC Name]
Acide 4-oxo-4-{[(13ξ,17β)-3-oxoestr-4-én-17-yl]oxy}butanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(13ξ,17β)-3-oxoestr-4-en-17-yl] ester [ACD/Index Name]
6785-62-2 [RN]
Nandrolone hemisuccinate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 559.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.0±6.0 kJ/mol
Flash Point: 193.4±23.6 °C
Index of Refraction: 1.561
Molar Refractivity: 99.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 12.66
ACD/KOC (pH 5.5): 102.22
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.63
Polar Surface Area: 81 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 50.9±5.0 dyne/cm
Molar Volume: 305.6±5.0 cm3

Click to predict properties on the Chemicalize site


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