ChemSpider 2D Image | (2beta,3alpha,5alpha,16beta,17beta)-17-Acetoxy-3-hydroxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane | C32H55N2O3

(2β,3α,5α,16β,17β)-17-Acetoxy-3-hydroxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane

  • Molecular FormulaC32H55N2O3
  • Average mass515.790 Da
  • Monoisotopic mass515.420715 Da
  • ChemSpider ID10023576

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2β,3α,5α,16β,17β)-17-Acetoxy-3-hydroxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstan [German] [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-17-Acetoxy-3-hydroxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-17-Acétoxy-3-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)-, 17-acetate, (2β,3α,5α,16β,17β)- [ACD/Index Name]
Piperidinium, 1-((2β,3α,5α,16β,17β)-17-(acetyloxy)-3-hydroxy-2-(1-piperidinyl)androstan-16-yl)-1-methyl-
74041-85-3 [RN]
DESACETYLVECURONIUM
UNII:7GJT8823H1
UNII-7GJT8823H1

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: 1.29
ACD/LogD (pH 5.5): -0.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.95
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.01
Polar Surface Area: 50 Å2
Polarizability:
Surface Tension:
Molar Volume:

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