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

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Properties Simple | Detailed

Formula C17H13BrI3NO5
IUPAC Name (2s)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid
Molecular Mass 771.906 g·mol−1
Heat of Formation -492.7 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 519.69 Å 3
Surface Area 384.15 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(2-bromoethanoylamino)-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid
  • (2s)-2-[(2-bromo-1-oxoethyl)amino]-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
  • (2s)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid
  • (2s)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3-iodo-phenoxy)-3,5-diiodo-phenyl]propionic acid
  • (2s)-2-[(2-bromoacetyl)amino]-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
  • brac(125i)t3
  • l-tyrosine, n-(bromoacetyl)-o-(4-hydroxy-3-iodophenyl)-3,5-diiodo-
  • n-bromoacetyl-(125i)t3
  • n-bromoacetyl-3,3',5-triiodo-l-thyronine
  • n-bromoacetyl-3,3',5-triiodothyronine
  • n-bromoacetyl-t3
CAS Number(s)
  • 76970-94-0
InChIKey AGUVIBCJWRFUTQ-ZDUSSCGKSA-N
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