ChemSpider 2D Image | 3beta-hydroxy-5beta-pregnan-20-one hemisuccinate | C25H38O5

3β-hydroxy-5β-pregnan-20-one hemisuccinate

  • Molecular FormulaC25H38O5
  • Average mass418.566 Da
  • Monoisotopic mass418.271912 Da
  • ChemSpider ID26330563

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

3β-hydroxy-5β-pregnan-20-one hemisuccinate
4-Oxo-4-{[(3β,5β)-20-oxopregnan-3-yl]oxy}butanoic acid [ACD/IUPAC Name]
4-Oxo-4-{[(3β,5β)-20-oxopregnan-3-yl]oxy}butansäure [German] [ACD/IUPAC Name]
Acide 4-oxo-4-{[(3β,5β)-20-oxoprégnan-3-yl]oxy}butanoïque [French] [ACD/IUPAC Name]
Butanedioic acid, mono[(3β,5β)-20-oxopregnan-3-yl] ester [ACD/Index Name]
3β-hydroxy-5β-pregnan-20-one succinate
succinic acid mono-(20-oxo-5β-pregnan-3β-yl ester)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 549.7±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.7±6.0 kJ/mol
Flash Point: 180.0±16.7 °C
Index of Refraction: 1.538
Molar Refractivity: 113.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 134.99
ACD/KOC (pH 5.5): 557.64
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 8.89
Polar Surface Area: 81 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 46.9±5.0 dyne/cm
Molar Volume: 361.9±5.0 cm3

Click to predict properties on the Chemicalize site


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