Cas no 76353-71-4 (Thyroxine Ethyl Ester)

Thyroxine Ethyl Ester structure
Thyroxine Ethyl Ester structure
Product Name:Thyroxine Ethyl Ester
CAS No:76353-71-4
MF:C17H15I4NO4
MW:804.923194169998
CID:537942
PubChem ID:54050781
Update Time:2025-04-19

Thyroxine Ethyl Ester Chemical and Physical Properties

Names and Identifiers

    • L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, ethyl ester
    • Thyroxine Ethyl Ester
    • ethyl (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate
    • Thyroxine Ethyl Este
    • 76353-71-4
    • DTXSID20708672
    • Ethyl O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosinate
    • SCHEMBL9746882
    • L-Tyrosine, O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, ethyl ester; L-Thyroxine ethyl ester; Thyroxine ethyl ester
    • DB-257092
    • Inchi： 1S/C17H15I4NO4/c1-2-25-17(24)14(22)5-8-3-12(20)16(13(21)4-8)26-9-6-10(18)15(23)11(19)7-9/h3-4,6-7,14,23H,2,5,22H2,1H3/t14-/m0/s1
    • InChI Key： LSSGNEFHGVQOPA-AWEZNQCLSA-N
    • SMILES： IC1C(=C(C=C(C=1)C[C@@H](C(=O)OCC)N)I)OC1C=C(C(=C(C=1)I)O)I

Computed Properties

  • Exact Mass: 804.7180g/mol
  • Monoisotopic Mass: 804.7180g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 7
  • Complexity: 448
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.3
  • Topological Polar Surface Area: 81.8?2

Experimental Properties

  • Density: 2.4±0.1 g/cm3
  • Melting Point: >102°C (dec.)
  • Boiling Point: 557.8±50.0 °C at 760 mmHg
  • Flash Point: 291.1±30.1 °C
  • Solubility: Methanol (Slightly)
  • Vapor Pressure: 0.0±1.6 mmHg at 25°C

Thyroxine Ethyl Ester Security Information

Thyroxine Ethyl Ester Pricemore >>

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