O-(3-Acetyl-4-Hydroxyphenyl)-3,5-Diiodo-L-Tyrosine

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Properties Simple | Detailed

Formula C17H15I2NO5
IUPAC Name (2s)-3-[4-(3-acetyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-2-amino-propanoic acid
Molecular Mass 567.114 g·mol−1
Heat of Formation -547.9 ± 16.7 kJ·mol−1
Dipole Moment 3.48 ± 1.08 D
Volume 448.68 Å 3
Surface Area 363.55 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-(3-ethanoyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]propanoic acid
  • (2s)-3-[4-(3-acetyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-2-amino-propanoic acid
  • (2s)-3-[4-(3-acetyl-4-hydroxy-phenoxy)-3,5-diiodo-phenyl]-2-amino-propionic acid
  • (2s)-3-[4-(3-acetyl-4-hydroxyphenoxy)-3,5-diiodophenyl]-2-aminopropanoic acid
  • 3'-ac-t2
  • 3'-acetyl-3,5-diiodo-l-thyronine
  • 3'-acetyl-3,5-diiodothyronine
  • l-tyrosine, o-(3-acetyl-4-hydroxyphenyl)-3,5-diiodo-, (5z,11alpha,13e,15r)-
CAS Number(s)
  • 93800-43-2
InChIKey SQPUZZAEFDULPR-AWEZNQCLSA-N
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