ChemSpider 2D Image | (3-endo)-8-[2-(4-Biphenylyl)-2-oxoethyl]-3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane | C31H34NO4

(3-endo)-8-[2-(4-Biphenylyl)-2-oxoethyl]-3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane

  • Molecular FormulaC31H34NO4
  • Average mass484.605 Da
  • Monoisotopic mass484.248230 Da
  • ChemSpider ID32701605

  • 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-[2-(4-Biphenylyl)-2-oxoethyl]-3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(3-endo)-8-[2-(4-Biphenylyl)-2-oxoethyl]-3-{[(2S)-3-hydroxy-2-phenylpropanoyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane [ACD/IUPAC Name]
(3-endo)-8-[2-(4-Biphénylyl)-2-oxoéthyl]-3-{[(2S)-3-hydroxy-2-phénylpropanoyl]oxy}-8-méthyl-8-azoniabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
8-Azoniabicyclo[3.2.1]octane, 8-(2-[1,1'-biphenyl]-4-yl-2-oxoethyl)-3-[(2S)-3-hydroxy-1-oxo-2-phenylpropoxy]-8-methyl-, (3-endo) [ACD/Index Name]
26BF4S8FO5
34786-74-8 [RN]
fentonium
UNII:26BF4S8FO5
UNII-26BF4S8FO5

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: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 0.61
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 51.37
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.72
ACD/KOC (pH 7.4): 51.37
Polar Surface Area: 64 Å2
Polarizability:
Surface Tension:
Molar Volume:

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