Cas no 70-39-3 (Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-)

Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo- structure
70-39-3 structure
Product Name:Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-
CAS No:70-39-3
MF:C15H12I3NO4
MW:650.973501205444
CID:547310
PubChem ID:22069
Update Time:2025-04-19

Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo- Chemical and Physical Properties

Names and Identifiers

    • Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3-iodo-
    • CHEBI:28774
    • CHEMBL1312
    • rT3; 3,3',5'-Triiodothyronine; Reverse triiodothyronine
    • 3,3',5'-Trijod-DL-Thyronin
    • 2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl]propanoic acid
    • REVERSETRIIODOTHYRONINE
    • 4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenylalanine
    • AKOS032947550
    • NCGC00181338-02
    • 2820-50-0
    • 8IGM4I6Q6G
    • DL-3,3',5'-Triiodothyronine
    • UNII-8IGM4I6Q6G
    • 3,3',5'-Triiodo-L-thyronine-13C6
    • Alanine, 3-(4-(4-hydroxy-3,5-diiodophenoxy)-3-iodophenyl)-
    • 70-39-3
    • NCGC00181338-01
    • BDBM50078169
    • GTPL2636
    • SCHEMBL429433
    • DTXSID50859929
    • Reverse-triiodthyronine
    • FT-0614014
    • DTXSID00274724
    • 3,3',5'-Triiodo-DL-thyronine
    • HZCBWYNLGPIQRK-UHFFFAOYSA-N
    • Q7318276
    • O-(4-hydroxy-3,5-diiodophenyl)-3-iodotyrosine
    • BCP28851
    • 3,3',5'-Triiodothyronine, DL-
    • Inchi： 1S/C15H12I3NO4/c16-9-3-7(4-12(19)15(21)22)1-2-13(9)23-8-5-10(17)14(20)11(18)6-8/h1-3,5-6,12,20H,4,19H2,(H,21,22)
    • InChI Key： HZCBWYNLGPIQRK-UHFFFAOYSA-N
    • SMILES： IC1=C(C=CC(=C1)CC(C(=O)O)N)OC1C=C(C(=C(C=1)I)O)I

Computed Properties

  • Exact Mass: 650.78866
  • Monoisotopic Mass: 650.7901g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 402
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.7
  • Topological Polar Surface Area: 92.8?2

Experimental Properties

  • PSA: 92.78

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