N-(Bromoacetyl)-O-(4-Hydroxy-3,5-Diiodophenyl)-3,5-Diiodo-L-Tyrosine

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Properties Simple | Detailed

Formula C17H12BrI4NO5
IUPAC Name (2s)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid
Molecular Mass 897.803 g·mol−1
Heat of Formation -405.0 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 554.32 Å 3
Surface Area 411.52 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 2.19 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2-bromoethanoylamino)-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid
  • (2s)-2-[(2-bromo-1-oxoethyl)amino]-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid
  • (2s)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid
  • (2s)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propionic acid
  • l-tyrosine, n-(bromoacetyl)-o-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-
  • n-bromoacetyl-l-thyroxine
  • n-bromoacetylthyroxine
CAS Number(s)
  • 64379-24-4
InChIKey RZLOAUPCEMPCAE-ZDUSSCGKSA-N
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