ChemSpider 2D Image | UNII:R3F3P3J73X | C30H34NO3

UNII:R3F3P3J73X

  • Molecular FormulaC30H34NO3
  • Average mass456.595 Da
  • Monoisotopic mass456.253326 Da
  • ChemSpider ID52083154
  • Charge - Charge

    defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(3-exo)-8-(4-Biphenylylmethyl)-3-{[(2R)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(3-exo)-8-(4-Biphenylylmethyl)-3-{[(2R)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane [ACD/IUPAC Name]
(3-exo)-8-(4-Biphénylylméthyl)-3-{[(2R)-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-[(2R)-3-hydroxy-1-oxo-2-phenylpropoxy]-8-methyl-, (3-exo) [ACD/Index Name]
UNII:R3F3P3J73X
38971-12-9 [RN]
Xenytropium

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: 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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