ChemSpider 2D Image | (2beta,3alpha,5alpha,8xi,9xi,10xi,13xi,14xi,16beta,17beta)-3-Acetoxy-17-hydroxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane | C32H55N2O3

(2β,3α,5α,8ξ,9ξ,10ξ,13ξ,14ξ,16β,17β)-3-Acetoxy-17-hydroxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane

  • Molecular FormulaC32H55N2O3
  • Average mass515.790 Da
  • Monoisotopic mass515.420715 Da
  • ChemSpider ID9932919

  • Charge - Charge

    defined stereocentres - 5 of 10 defined stereocentres

More details:

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

(2β,3α,5α,8ξ,9ξ,10ξ,13ξ,14ξ,16β,17β)-3-Acetoxy-17-hydroxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstan [German] [ACD/IUPAC Name]
(2β,3α,5α,8ξ,9ξ,10ξ,13ξ,14ξ,16β,17β)-3-Acetoxy-17-hydroxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane [ACD/IUPAC Name]
(2β,3α,5α,8ξ,9ξ,10ξ,13ξ,14ξ,16β,17β)-3-Acétoxy-17-hydroxy-16-(1-méthyl-1-pipéridiniumyl)-2-(1-pipéridinyl)androstane [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)-, 3-acetate, (2β,3α,5α,8ξ,9ξ,10ξ,13ξ,14ξ,16β,17β)- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.37
ACD/LogD (pH 5.5): -0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.64
ACD/LogD (pH 7.4): -0.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.73
Polar Surface Area: 50 Å2
Polarizability:
Surface Tension:
Molar Volume:

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