Thyroxine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 850
Total Number of Articles : 2125
PubChem 5819
Molecular Formula

C15H11I4NO4

SMILES

C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@@H](C(=O)O)N

InChI

InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1

synonyms
  • L-thyroxine
  • levothyroxine
  • 51-48-9
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Properties
Property Value
MW 776.87 g/mol
HBD 3
HBA 5
Rotatable Bond Count 5
Exact Mass 776.6867 g/mol
Monoisotopic Mass 776.6867 g/mol
Heavy Atom Count 24
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 420
xlogp 2.4
Topological Polar Surface Area 92.8