ChemSpider 2D Image | (3alpha,5alpha,8xi,9xi,14xi,17beta)-17-Acetoxy-3-hydroxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane | C33H58N2O3

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

  • Molecular FormulaC33H58N2O3
  • Average mass530.824 Da
  • Monoisotopic mass530.443665 Da
  • ChemSpider ID4954394

  • 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)-17-Acetoxy-3-hydroxy-2,16-bis(1-methyl-1-piperidiniumyl)androstan [German] [ACD/IUPAC Name]
(3α,5α,8ξ,9ξ,14ξ,17β)-17-Acetoxy-3-hydroxy-2,16-bis(1-methyl-1-piperidiniumyl)androstane [ACD/IUPAC Name]
(3α,5α,8ξ,9ξ,14ξ,17β)-17-Acétoxy-3-hydroxy-2,16-bis(1-méthyl-1-pipéridiniumyl)androstane [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 2,16-bis(1-methyl-1-piperidiniumyl)-, 17-acetate, (3α,5α,8ξ,9ξ,14ξ,17β)- [ACD/Index Name]
3-Desacetylpancuronium
3-Despanc
41261-71-6 [RN]
43021-44-9 [RN]

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: -0.68
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability:
Surface Tension:
Molar Volume:

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