ChemSpider 2D Image | L-Alanyl-N-{(1R,5S)-3-[6-carboxy-8-(2,4-difluorophenyl)-3-(~18~F)fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]-3-azabicyclo[3.1.0]hex-6-yl}-L-alaninamide | C26H25F218FN6O5

L-Alanyl-N-{(1R,5S)-3-[6-carboxy-8-(2,4-difluorophenyl)-3-(18F)fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]-3-azabicyclo[3.1.0]hex-6-yl}-L-alaninamide

  • Molecular FormulaC26H25F218FN6O5
  • Average mass557.512 Da
  • Monoisotopic mass557.186401 Da
  • ChemSpider ID9817272

  • defined stereocentres - 4 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

L-Alaninamide, L-alanyl-N-[(1R,5S)-3-[6-carboxy-8-(2,4-difluorophenyl)-3-(fluoro-18F)-5,8-dihydro-5-oxo-1,8-naphthyridin-2-yl]-3-azabicyclo[3.1.0]hex-6-yl]- [ACD/Index Name]
L-Alanyl-N-{(1R,5S)-3-[6-carboxy-8-(2,4-difluorophenyl)-3-(18F)fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]-3-azabicyclo[3.1.0]hex-6-yl}-L-alaninamide [ACD/IUPAC Name]
L-Alanyl-N-{(1R,5S)-3-[6-carboxy-8-(2,4-difluorophényl)-3-(18F)fluoro-5-oxo-5,8-dihydro-1,8-naphtyridin-2-yl]-3-azabicyclo[3.1.0]hex-6-yl}-L-alaninamide [French] [ACD/IUPAC Name]
L-Alanyl-N-{(1R,5S)-3-[6-carboxy-8-(2,4-difluorphenyl)-3-(18F)fluor-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]-3-azabicyclo[3.1.0]hex-6-yl}-L-alaninamid [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.673
Molar Refractivity: 133.2±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: 52.8±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 355.1±5.0 cm3

Click to predict properties on the Chemicalize site


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