ChemSpider 2D Image | Vecuronium | C34H57N2O4

Vecuronium

  • Molecular FormulaC34H57N2O4
  • Average mass557.827 Da
  • Monoisotopic mass557.431274 Da
  • ChemSpider ID36358

  • 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)-3,17-Diacetoxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstan [German] [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-3,17-Diacetoxy-16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)androstane [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-3,17-Diacétoxy-16-(1-méthyl-1-pipéridiniumyl)-2-(1-pipéridinyl)androstane [French] [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-3,17-Diacetoxy-16-(1-methylpiperidinium-1-yl)-2-(piperidin-1-yl)androstane
86029-43-8 [RN]
Androstane-3,17-diol, 16-(1-methyl-1-piperidiniumyl)-2-(1-piperidinyl)-, diacetate (ester), (2β,3α,5α,16β,17β)- [ACD/Index Name]
Piperidinium, 1-((2β,3α,5α,16β,17β)-3,17-bis(acetyloxy)-2-(1-piperidinyl)androstan-16-yl)-1-methyl-
Vecuronium [INN] [Wiki]
1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-4-(piperidin-1-yl)tetracyclo[8.7.0.02,7.011,15]heptadecan-13-yl]-1-methylpiperidin-1-ium
1-[(1S,2S,4S,5S,7S,10R,11S,13S,14R,15S)-5,14-bis(acetyloxy)-2,15-dimethyl-4-(piperidin-1-yl)tetracyclo[8.7.0.02,7.011,15]heptadecan-13-yl]-1-methylpiperidin-1-ium
More...

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

5438723848 [DBID]
7173466 [DBID]
C07553 [DBID]
  • Miscellaneous

    • Chemical Class:

      A 5alpha-androstane compound having 3alpha-acetoxy-, 17beta-acetoxy-, 2beta-piperidino- and 16beta-N-methylpiperidinium substituents. ChEBI CHEBI:9939

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: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.13
ACD/LogD (pH 7.4): 0.41
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 15.76
Polar Surface Area: 56 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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