ChemSpider 2D Image | (1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenyl(1-~13~C)propanoate | C1613CH23NO3

(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenyl(1-13C)propanoate

  • Molecular FormulaC1613CH23NO3
  • Average mass290.362 Da
  • Monoisotopic mass290.171143 Da
  • ChemSpider ID9955941

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl (2S)-3-hydroxy-2-phenyl(1-13C)propanoate [ACD/IUPAC Name]
(1R,5S)-8-Methyl-8-azabicyclo[3.2.1]oct-3-yl-(2S)-3-hydroxy-2-phenyl(1-13C)propanoat [German] [ACD/IUPAC Name]
(2S)-3-Hydroxy-2-phényl(1-13C)propanoate de (1R,5S)-8-méthyl-8-azabicyclo[3.2.1]oct-3-yle [French] [ACD/IUPAC Name]
Benzeneacetic-carboxy-13C acid, α-(hydroxymethyl)-, (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, (αS)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.581
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 242.4±5.0 cm3

Click to predict properties on the Chemicalize site


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