ChemSpider 2D Image | (3beta,5alpha,16beta,17beta)-16-(1-Piperidinyl)-3-(1-pyrrolidinyl)androstan-17-yl acetate | C30H50N2O2

(3β,5α,16β,17β)-16-(1-Piperidinyl)-3-(1-pyrrolidinyl)androstan-17-yl acetate

  • Molecular FormulaC30H50N2O2
  • Average mass470.730 Da
  • Monoisotopic mass470.387238 Da
  • ChemSpider ID58994091

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3β,5α,16β,17β)-16-(1-Piperidinyl)-3-(1-pyrrolidinyl)androstan-17-yl acetate [ACD/IUPAC Name]
(3β,5α,16β,17β)-16-(1-Piperidinyl)-3-(1-pyrrolidinyl)androstan-17-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (3β,5α,16β,17β)-16-(1-pipéridinyl)-3-(1-pyrrolidinyl)androstan-17-yle [French] [ACD/IUPAC Name]
Androstan-17-ol, 16-(1-piperidinyl)-3-(1-pyrrolidinyl)-, acetate (ester), (3β,5α,16β,17β)- [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: 538.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.3±23.2 °C
Index of Refraction: 1.560
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 1.24
ACD/KOC (pH 5.5): 2.77
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 4.62
Polar Surface Area: 33 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 45.9±5.0 dyne/cm
Molar Volume: 427.1±5.0 cm3

Click to predict properties on the Chemicalize site


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