ChemSpider 2D Image | (2beta,3alpha,5alpha,16beta,17beta)-3-Acetoxy-16-(1-allyl-1-piperidiniumyl)-2-(1-piperidinyl)-17-(propionyloxy)androstane | C37H61N2O4

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

  • Molecular FormulaC37H61N2O4
  • Average mass597.891 Da
  • Monoisotopic mass597.462585 Da
  • ChemSpider ID4470890
  • 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-Acetoxy-16-(1-allyl-1-piperidiniumyl)-2-(1-piperidinyl)-17-(propionyloxy)androstan [German] [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-3-Acetoxy-16-(1-allyl-1-piperidiniumyl)-2-(1-piperidinyl)-17-(propionyloxy)androstane [ACD/IUPAC Name]
(2β,3α,5α,16β,17β)-3-Acétoxy-16-(1-allyl-1-pipéridiniumyl)-2-(1-pipéridinyl)-17-(propionyloxy)androstane [French] [ACD/IUPAC Name]
Androstane-3,17-diol, 2-(1-piperidinyl)-16-[1-(2-propen-1-yl)-1-piperidiniumyl]-, 3-acetate 17-propanoate, (2β,3α,5α,16β,17β)- [ACD/Index Name]
465499-11-0 [RN]
GG1LBM463S
Rapacuronium [Wiki]
UNII:GG1LBM463S
UNII-GG1LBM463S

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: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.59
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 2.01
ACD/KOC (pH 5.5): 29.87
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 38.84
Polar Surface Area: 56 Å2
Polarizability:
Surface Tension:
Molar Volume:

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