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

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Properties Simple | Detailed

Formula C15H11BrI3NO4
IUPAC Name (2s)-2-amino-3-[4-(3-bromo-4-hydroxy-5-iodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid
Molecular Mass 729.870 g·mol−1
Heat of Formation -257.2 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 475.41 Å 3
Surface Area 381.1 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-(3-bromo-4-hydroxy-5-iodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid
  • (2s)-2-amino-3-[4-(3-bromo-4-hydroxy-5-iodo-phenoxy)-3,5-diiodo-phenyl]propionic acid
  • 3'-bromo-3,5,5'-triiodo-l-thyronine
  • 3'-bromo-3,5,5'-triiodothyronine
  • 3'-bromo-t3
  • 3'-brt3
  • brt3
  • l-tyrosine, o-(3-bromo-4-hydroxy-5-iodophenyl)-3,5-diiodo-
  • pseudo-t4
CAS Number(s)
  • 77667-01-7
InChIKey YSUYFSUSYJMLTH-LBPRGKRZSA-N
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