O-[3,5-Diiodo-4-(Sulfooxy)Phenyl]-3,5-Diiodo-L-Tyrosine

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Properties Simple | Detailed

Formula C15H11I4NO7S
IUPAC Name (2s)-2-amino-3-[4-(3,5-diiodo-4-sulfooxy-phenoxy)-3,5-diiodo-phenyl]propanoic acid
Molecular Mass 856.933 g·mol−1
Heat of Formation -695.4 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 540.14 Å 3
Surface Area 420.92 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-(3,5-diiodo-4-sulfooxy-phenoxy)-3,5-diiodo-phenyl]propanoic acid
  • (2s)-2-amino-3-[4-(3,5-diiodo-4-sulfooxyphenoxy)-3,5-diiodophenyl]propanoic acid
  • (2s)-2-amino-3-[4-(3,5-diiodo-4-sulfoxy-phenoxy)-3,5-diiodo-phenyl]propionic acid
  • l-tyrosine, o-(3,5-diiodo-4-(sulfooxy)phenyl)-3,5-diiodo-
  • t4 sulfate
  • thyroxine sulfate
  • thyroxine-4-sulfate
CAS Number(s)
  • 77074-49-8
InChIKey QYXIJUZWSSQICT-LBPRGKRZSA-N
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