5-Iodo-L-Histidine

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Properties Simple | Detailed

Formula C6H8IN3O2
IUPAC Name (2s)-2-amino-3-(4-iodo-1h-imidazol-5-yl)propanoic acid
Molecular Mass 281.051 g·mol−1
Heat of Formation -177.6 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 221.63 Å 3
Surface Area 208.83 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-(5-iodo-3h-imidazol-4-yl)propanoic acid
  • (2s)-2-amino-3-(5-iodo-3h-imidazol-4-yl)propionic acid
  • 5-iodohistidine
CAS Number(s)
  • 40649-71-6
InChIKey AAKROHZJMPGWQF-VKHMYHEASA-N
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