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

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Properties Simple | Detailed

Formula C15H13I2NO7S
IUPAC Name (2s)-2-amino-3-[3-iodo-4-(3-iodo-4-sulfooxy-phenoxy)phenyl]propanoic acid
Molecular Mass 605.140 g·mol−1
Heat of Formation -868.9 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 464.58 Å 3
Surface Area 375.79 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[3-iodo-4-(3-iodo-4-sulfooxy-phenoxy)phenyl]propanoic acid
  • (2s)-2-amino-3-[3-iodo-4-(3-iodo-4-sulfooxyphenoxy)phenyl]propanoic acid
  • (2s)-2-amino-3-[3-iodo-4-(3-iodo-4-sulfoxy-phenoxy)phenyl]propionic acid
  • 3,3'-diiodo-l-thyronine sulfate
  • 3,3'-diiodothyronine-4-sulfate
  • 3,3'-t2 sulfate
  • 3,3'-t2s
  • l-tyrosine, 3-iodo-o-(3-iodo-4-(sulfooxy)phenyl)-
CAS Number(s)
  • 64192-57-0
InChIKey NBAZIIRGURJZJA-LBPRGKRZSA-N
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