ChemSpider 2D Image | (3alpha,5alpha,8xi,9xi,14xi,17beta)-17-Acetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-3-hydroxyandrostane | C33H60N4O3

(3α,5α,8ξ,9ξ,14ξ,17β)-17-Acetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-3-hydroxyandrostane

  • Molecular FormulaC33H60N4O3
  • Average mass560.853 Da
  • Monoisotopic mass560.465454 Da
  • ChemSpider ID169404

  • 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-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-3-hydroxyandrostan [German] [ACD/IUPAC Name]
(3α,5α,8ξ,9ξ,14ξ,17β)-17-Acetoxy-2,16-bis(4,4-dimethylpiperazin-4-ium-1-yl)-3-hydroxyandrostane [ACD/IUPAC Name]
(3α,5α,8ξ,9ξ,14ξ,17β)-17-Acétoxy-2,16-bis(4,4-diméthylpipérazin-4-ium-1-yl)-3-hydroxyandrostane [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 2,16-bis(4,4-dimethyl-1-piperaziniumyl)-, 17-acetate, (3α,5α,8ξ,9ξ,14ξ,17β)- [ACD/Index Name]
121935-02-2 [RN]
3-Desacetylpipecuronium
3-Despip

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: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -3.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 53 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement