ChemSpider 2D Image | 4-Oxo-4-{[(3beta,8xi,9xi,14xi)-20-oxopregn-5-en-3-yl]oxy}butanoic acid | C25H36O5

4-Oxo-4-{[(3β,8ξ,9ξ,14ξ)-20-oxopregn-5-en-3-yl]oxy}butanoic acid

  • Molecular FormulaC25H36O5
  • Average mass416.550 Da
  • Monoisotopic mass416.256287 Da
  • ChemSpider ID21117743

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

4-Oxo-4-{[(3β,8ξ,9ξ,14ξ)-20-oxopregn-5-en-3-yl]oxy}butanoic acid [ACD/IUPAC Name]
4-Oxo-4-{[(3β,8ξ,9ξ,14ξ)-20-oxopregn-5-en-3-yl]oxy}butansäure [German] [ACD/IUPAC Name]
Acide 4-oxo-4-{[(3β,8ξ,9ξ,14ξ)-20-oxoprégn-5-én-3-yl]oxy}butanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(3β,8ξ,9ξ,14ξ)-20-oxopregn-5-en-3-yl] ester [ACD/Index Name]
Pharmakon1600-01505713
Pregnenolone succinate [USAN] [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 560.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 92.1±6.0 kJ/mol
Flash Point: 185.1±23.6 °C
Index of Refraction: 1.550
Molar Refractivity: 112.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 126.54
ACD/KOC (pH 5.5): 530.58
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 2.02
ACD/KOC (pH 7.4): 8.46
Polar Surface Area: 81 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 354.4±5.0 cm3

Click to predict properties on the Chemicalize site


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