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T3 (liothyronine)

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CID

5920
CAS

15785-49-6
InChI

InChI=1S/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4, 6, 12, 20H, 5, 19H2, (H, 21, 22)/t12-/m0/s1
InChIKey

AUYYCJSJGJYCDS-LBPRGKRZSA-N
Isomeric SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)O)N)I)I)O
Canonical SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O
IUPAC Name

(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3, 5-diiodophenyl]propanoic acid
Molecular Formula

C15H12I3NO4
Molecular Weight

650.97
Monoisotopic Mass

650.7901
Polar Area

92.8
Complexity

402
XLogP

1.7
Heavy Atom Count

23
Hydrogen Bond Donor Count

3
Hydrogen Bond Acceptor Count

5
Rotatable Bond Count

5
Physical Appearance

Clear Liquid
Stability

Room Temperature

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