O-(4-Hydroxy-3-Iodo-5-Isopropylphenyl)-3,5-Diiodotyrosine

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Properties Simple | Detailed

Formula C18H18I3NO4
IUPAC Name (2s)-2-amino-3-[4-(4-hydroxy-3-iodo-5-isopropyl-phenoxy)-3,5-diiodo-phenyl]propanoic acid
Molecular Mass 693.053 g·mol−1
Heat of Formation -374.4 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 511.84 Å 3
Surface Area 394.37 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[4-(4-hydroxy-3-iodo-5-isopropyl-phenoxy)-3,5-diiodo-phenyl]propanoic acid
  • (2s)-2-amino-3-[4-(4-hydroxy-3-iodo-5-isopropyl-phenoxy)-3,5-diiodo-phenyl]propionic acid
  • (2s)-2-amino-3-[4-(4-hydroxy-3-iodo-5-isopropylphenoxy)-3,5-diiodophenyl]propanoic acid
  • (2s)-2-amino-3-[4-(4-hydroxy-3-iodo-5-propan-2-yl-phenoxy)-3,5-diiodo-phenyl]propanoic acid
  • (2s)-2-amino-3-[4-(4-hydroxy-3-iodo-5-propan-2-ylphenoxy)-3,5-diiodophenyl]propanoic acid
InChIKey GFBWHKKOEFXNAN-HNNXBMFYSA-N
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