(2S)-3-Phenyl-2-{[(3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-Oxohexyl]Amino}Propanoic Acid

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Properties Simple | Detailed

Formula C15H21NO7
IUPAC Name (2s)-3-phenyl-2-[[(3s,4r,5r)-3,4,5,6-tetrahydroxy-2-oxo-hexyl]amino]propanoic acid
Molecular Mass 327.330 g·mol−1
Heat of Formation -1225.0 ± 16.7 kJ·mol−1
Dipole Moment 1.95 ± 1.08 D
Volume 383.13 Å 3
Surface Area 337.03 Å 2
HOMO Energy -9.77 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-phenyl-2-[[(3s,4r,5r)-3,4,5,6-tetrahydroxy-2-keto-hexyl]amino]propionic acid
  • (2s)-3-phenyl-2-[[(3s,4r,5r)-3,4,5,6-tetrahydroxy-2-oxo-hexyl]amino]propanoic acid
  • (2s)-3-phenyl-2-[[(3s,4r,5r)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]propanoic acid
  • d-fructose, 1-((1-carboxy-2-phenylethyl)amino)-1-deoxy-, (s)-
  • fructose-phenylalanine
CAS Number(s)
  • 31105-03-0
InChIKey WZWDUEKBAIXVCC-IGHBBLSQSA-N
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