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

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Properties Simple | Detailed

Formula C15H12I3NO7S
IUPAC Name (2s)-2-amino-3-[4-(3,5-diiodo-4-sulfooxy-phenoxy)-3-iodo-phenyl]propanoic acid
Molecular Mass 731.037 g·mol−1
Heat of Formation -772.8 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 504.85 Å 3
Surface Area 399.4 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-(3,5-diiodo-4-sulfooxy-phenoxy)-3-iodo-phenyl]propanoic acid
  • (2s)-2-amino-3-[4-(3,5-diiodo-4-sulfooxyphenoxy)-3-iodophenyl]propanoic acid
  • (2s)-2-amino-3-[4-(3,5-diiodo-4-sulfoxy-phenoxy)-3-iodo-phenyl]propionic acid
  • reverse t3 sulfate
CAS Number(s)
  • 79349-15-8
InChIKey BWRJFXXHPZMDPS-LBPRGKRZSA-N
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