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Search term: HXWLAJVUJSVENX-PUMJCJFRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Methyl (2S,3S)-8-(3-fluoropropyl)-3-[4-(~123~I)iodophenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate | C18H23F123INO2

Methyl (2S,3S)-8-(3-fluoropropyl)-3-[4-(123I)iodophenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate

  • Molecular FormulaC18H23F123INO2
  • Average mass427.379 Da
  • Monoisotopic mass427.171295 Da
  • ChemSpider ID28527008

  • defined stereocentres - 2 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2S,3S)-8-(3-Fluoropropyl)-3-[4-(123I)iodophényl]-8-azabicyclo[3.2.1]octane-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 8-(3-fluoropropyl)-3-[4-(iodo-123I)phenyl]-, methyl ester, (2S,3S)- [ACD/Index Name]
Methyl (2S,3S)-8-(3-fluoropropyl)-3-[4-(123I)iodophenyl]-8-azabicyclo[3.2.1]octane-2-carboxylate [ACD/IUPAC Name]
Methyl-(2S,3S)-8-(3-fluorpropyl)-3-[4-(123I)iodphenyl]-8-azabicyclo[3.2.1]octan-2-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.561
Molar Refractivity: 96.3±0.3 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: 38.2±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 297.4±3.0 cm3

Click to predict properties on the Chemicalize site


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