ChemSpider 2D Image | (8xi,9xi,10alpha,14xi)-17-Oxo-3-{[3-(1-pyrrolidiniumyl)propanoyl]oxy}androst-5-ene | C26H40NO3

(8ξ,9ξ,10α,14ξ)-17-Oxo-3-{[3-(1-pyrrolidiniumyl)propanoyl]oxy}androst-5-ene

  • Molecular FormulaC26H40NO3
  • Average mass414.600 Da
  • Monoisotopic mass414.300262 Da
  • ChemSpider ID24809740
  • Charge - Charge

    defined stereocentres - 2 of 6 defined stereocentres


More details:






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

(8ξ,9ξ,10α,14ξ)-17-Oxo-3-{[3-(1-pyrrolidiniumyl)propanoyl]oxy}androst-5-en [German] [ACD/IUPAC Name]
(8ξ,9ξ,10α,14ξ)-17-Oxo-3-{[3-(1-pyrrolidiniumyl)propanoyl]oxy}androst-5-ene [ACD/IUPAC Name]
(8ξ,9ξ,10α,14ξ)-17-Oxo-3-{[3-(1-pyrrolidiniumyl)propanoyl]oxy}androst-5-ène [French] [ACD/IUPAC Name]
1-Pyrrolidinepropanoic acid, (8ξ,9ξ,10α,14ξ)-17-oxoandrost-5-en-3-yl ester, conjugate acid [ACD/Index Name]
ZINC15958336

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point: 536.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.0±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.13
ACD/LogD (pH 5.5): 1.56
ACD/BCF (pH 5.5): 1.67
ACD/KOC (pH 5.5): 6.77
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 12.17
ACD/KOC (pH 7.4): 49.29
Polar Surface Area: 48 Å2
Polarizability:
Surface Tension:
Molar Volume:

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