ChemSpider 2D Image | (1R,5R)-8-(4-Biphenylylmethyl)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane | C30H34NO3

(1R,5R)-8-(4-Biphenylylmethyl)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane

  • Molecular FormulaC30H34NO3
  • Average mass456.595 Da
  • Monoisotopic mass456.253326 Da
  • ChemSpider ID32700877

  • Charge - Charge

    defined stereocentres - 2 of 5 defined stereocentres

More details:

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

(1R,5R)-8-(4-Biphenylylmethyl)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(1R,5R)-8-(4-Biphenylylmethyl)-3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-azoniabicyclo[3.2.1]octane [ACD/IUPAC Name]
(1R,5R)-8-(4-Biphénylylméthyl)-3-[(3-hydroxy-2-phénylpropanoyl)oxy]-8-méthyl-8-azoniabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
8-Azoniabicyclo[3.2.1]octane, 8-([1,1'-biphenyl]-4-ylmethyl)-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-methyl-, (1R,5R)- [ACD/Index Name]
38971-12-9 [RN]
Xenytropium

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: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.18
ACD/KOC (pH 5.5): 60.90
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.18
ACD/KOC (pH 7.4): 60.90
Polar Surface Area: 47 Å2
Polarizability:
Surface Tension:
Molar Volume:

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