(2S)-3-(1H-Indol-3-Yl)-2-{[(3S,4R,5R)-3,4,5,6-Tetrahydroxy-2-Oxohexyl]Amino}Propanoic Acid

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Properties Simple | Detailed

Formula C17H22N2O7
IUPAC Name (2s)-3-indol-1-ium-3-yl-2-[[(3s,4r,5r)-3,4,5,6-tetrahydroxy-2-oxo-hexyl]amino]propanoic acid
Molecular Mass 366.366 g·mol−1
Heat of Formation -1118.6 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 422.5 Å 3
Surface Area 372.19 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-3-(1h-indol-3-yl)-2-[[(3s,4r,5r)-3,4,5,6-tetrahydroxy-2-keto-hexyl]amino]propionic acid
  • (2s)-3-(1h-indol-3-yl)-2-[[(3s,4r,5r)-3,4,5,6-tetrahydroxy-2-oxo-hexyl]amino]propanoic acid
  • (2s)-3-(1h-indol-3-yl)-2-[[(3s,4r,5r)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]propanoic acid
  • 1-(n-l-tryptophan)-1-deoxy-d-glucose
  • 1-(n-tryptophan)-1-deoxyfructose
  • d-fructose, 1-((1-carboxy-2-(1h-indol-3-yl)ethyl)amino)-1-deoxy-, (s)-
  • trp-fru
CAS Number(s)
  • 25020-15-9
InChIKey RZJHOCXJFBBOAY-LCGIIJARSA-N
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