3-monoiodo-L-thyronine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 1
Total Number of Articles : 1
PubChem 40418818
Molecular Formula

C15H14INO4

SMILES

C1=CC(=CC=C1O)OC2=C(C=C(C=C2)C[C@@H](C(=O)[O-])[NH3+])I

InChI

InChI=1S/C15H14INO4/c16-12-7-9(8-13(17)15(19)20)1-6-14(12)21-11-4-2-10(18)3-5-11/h1-7,13,18H,8,17H2,(H,19,20)/t13-/m0/s1

synonyms
  • 3-monoiodothyronine
  • 3-monoiodo-L-thyronine
  • 3-iodo-L-thyronine zwitterion
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Properties
Property Value
MW 399.18 g/mol
HBD 2
HBA 4
Rotatable Bond Count 4
Exact Mass 398.99676 g/mol
Monoisotopic Mass 398.99676 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 341
xlogp 1.1
Topological Polar Surface Area 97.2