ChemSpider 2D Image | (3alpha,5alpha)-3-(1,4'-Bipiperidin-1'-ylmethyl)-3-hydroxyandrostan-17-one | C30H50N2O2

(3α,5α)-3-(1,4'-Bipiperidin-1'-ylmethyl)-3-hydroxyandrostan-17-one

  • Molecular FormulaC30H50N2O2
  • Average mass470.730 Da
  • Monoisotopic mass470.387238 Da
  • ChemSpider ID26633576

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3α,5α)-3-(1,4'-Bipiperidin-1'-ylmethyl)-3-hydroxyandrostan-17-on [German] [ACD/IUPAC Name]
(3α,5α)-3-(1,4'-Bipiperidin-1'-ylmethyl)-3-hydroxyandrostan-17-one [ACD/IUPAC Name]
(3α,5α)-3-(1,4'-Bipipéridin-1'-ylméthyl)-3-hydroxyandrostan-17-one [French] [ACD/IUPAC Name]
Androstan-17-one, 3-([1,4'-bipiperidin]-1'-ylmethyl)-3-hydroxy-, (3α,5α)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 577.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.3±6.0 kJ/mol
Flash Point: 303.1±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.16
ACD/LogD (pH 7.4): 2.55
ACD/BCF (pH 7.4): 14.05
ACD/KOC (pH 7.4): 50.49
Polar Surface Area: 44 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 428.4±3.0 cm3

Click to predict properties on the Chemicalize site


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