Cas no 203585-45-9 (L-Tyrosine,O-(4-hydroxyphenyl)-3,5-diiodo-, methyl ester)

L-Tyrosine,O-(4-hydroxyphenyl)-3,5-diiodo-, methyl ester structure
203585-45-9 structure
Product Name:L-Tyrosine,O-(4-hydroxyphenyl)-3,5-diiodo-, methyl ester
CAS No:203585-45-9
MF:C16H15I2NO4
MW:539.10354924202
CID:254185
PubChem ID:14011739
Update Time:2025-04-19

L-Tyrosine,O-(4-hydroxyphenyl)-3,5-diiodo-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • L-Tyrosine,O-(4-hydroxyphenyl)-3,5-diiodo-, methyl ester
    • 3,5-diiodo-L-thyronine methyl ester
    • 3,5-Dijod-L-thyronin-methylester
    • O-(4-HYDROXYPHENYL)-3,5-DIIODO-L-TYROSINE METHYL ESTER
    • (S)-Methyl 2-amino-3-(4-(4-hydroxyphenoxy)-3,5-diiodophenyl)propanoate
    • METHYL (2S)-2-AMINO-3-[4-(4-HYDROXYPHENOXY)-3,5-DIIODOPHENYL]PROPANOATE
    • L-Tyrosine,o-(4-hydroxyphenyl)-3,5-diiodo-,methyl ester
    • 203585-45-9
    • SCHEMBL7599255
    • O-methyl-3,5-diiodo-l-thyronine
    • ZNUQUHHTCGWFOR-AWEZNQCLSA-N
    • Inchi: 1S/C16H15I2NO4/c1-22-16(21)14(19)8-9-6-12(17)15(13(18)7-9)23-11-4-2-10(20)3-5-11/h2-7,14,20H,8,19H2,1H3/t14-/m0/s1
    • InChI Key: ZNUQUHHTCGWFOR-AWEZNQCLSA-N
    • SMILES: IC1C(=C(C=C(C=1)C[C@@H](C(=O)OC)N)I)OC1C=CC(=CC=1)O

Computed Properties

  • Exact Mass: 538.90900
  • Monoisotopic Mass: 538.90905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 6
  • Complexity: 378
  • 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: 3.7
  • Topological Polar Surface Area: 81.8?2

Experimental Properties

  • PSA: 81.78000
  • LogP: 4.13680
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