ChemSpider 2D Image | (3alpha,5alpha,8xi,9xi,14xi,17beta)-3-Acetoxy-17-(butyryloxy)-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane | C36H61N2O4

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

  • Molecular FormulaC36H61N2O4
  • Average mass585.880 Da
  • Monoisotopic mass585.462585 Da
  • ChemSpider ID9932750

  • Charge - Charge

    defined stereocentres - 5 of 10 defined stereocentres

More details:

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

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

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 2.66
ACD/KOC (pH 5.5): 36.45
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 3.45
ACD/KOC (pH 7.4): 47.38
Polar Surface Area: 56 Å2
Polarizability:
Surface Tension:
Molar Volume:

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