ChemSpider 2D Image | (3-endo,8-syn)-3-{[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy}-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane | C20H30NO3

(3-endo,8-syn)-3-{[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy}-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane

  • Molecular FormulaC20H30NO3
  • Average mass332.457 Da
  • Monoisotopic mass332.222015 Da
  • ChemSpider ID23362509
  • Charge - Charge

    defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(3-endo,8-syn)-3-{[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy}-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(3-endo,8-syn)-3-{[(2S)-3-Hydroxy-2-phenylpropanoyl]oxy}-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane [ACD/IUPAC Name]
(3-endo,8-syn)-3-{[(2S)-3-Hydroxy-2-phénylpropanoyl]oxy}-8-isopropyl-8-méthyl-8-azoniabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
8-Azoniabicyclo[3.2.1]octane, 3-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-8-methyl-8-(1-methylethyl)-, (3-endo,8-syn) [ACD/Index Name]
(1R,3r,5S,8S)-3-(((S)-3-hydroxy-2-phenylpropanoyl)oxy)-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium
(2R,3R,5S)-3-((S)-3-Hydroxy-2-phenyl-propionyloxy)-8-isopropyl-8-methyl-8-azonia-bicyclo[3.2.1]octane
Atrovent;
Atrovent;Atem;Berodual;Itrop;Narilet;Normosecretol;Respontin;Rinatec;Tropiovent
Ipratropium
Ipratropium bromide [INN] [Wiki]
  • Miscellaneous

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: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -2.20
ACD/LogD (pH 5.5): -1.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.12
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.12
Polar Surface Area: 47 Å2
Polarizability:
Surface Tension:
Molar Volume:

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