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5714-08-9 | 3,3',5'-Triiodo-D-thyronine
CAS No: 5714-08-9 Catalog No: AG00EEP7 MDL No:
Product Description
Catalog Number:
AG00EEP7
Chemical Name:
3,3',5'-Triiodo-D-thyronine
CAS Number:
5714-08-9
IUPAC Name:
(2R)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoic acid
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-/m1/s1
InChI Key:
AUYYCJSJGJYCDS-GFCCVEGCSA-N
EC Number:
227-203-9
UNII:
46XII7C16X
NSC Number:
757435
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
650.79g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
650.977g/mol
Monoisotopic Mass:
650.79g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| 2D QSAR studies on thyroid hormone receptor ligands. | Bioorganic & medicinal chemistry 20070701 |
| Thyroid receptor ligands. Part 5: novel bicyclic agonist ligands selective for the thyroid hormone receptor beta. | Bioorganic & medicinal chemistry letters 20060301 |
| Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1. | Journal of medicinal chemistry 20030424 |
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