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Substance Name: Diiodotyrosine
RN: 66-02-4
UNII: ST90Q60YF3
InChIKey: NYPYHUZRZVSYKL-UHFFFAOYSA-N

Note

  • A product from the iodination of MONOIODOTYROSINE. In the biosynthesis of thyroid hormones, diiodotyrosine residues are coupled with other monoiodotyrosine or diiodotyrosine residues to form T4 or T3 thyroid hormones (THYROXINE and TRIIODOTHYRONINE).

Molecular Formula

  • C9-H9-I2-N-O3

Molecular Weight

  • 432.974
 

Classification Codes

  • Agricultural Chemical
  • Growth Regulator / Fertilizer
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Names and Synonyms

Name of Substance

  • Diiodotyrosine

MeSH Heading

  • Diiodotyrosine

Synonyms

  • (S)-3-(4-Hydroxy-3,5-diiodphenyl)alanin
  • (S)-3-(4-Hydroxy-3,5-diiodphenyl)alanin [IUPAC]
  • 2-14-00-00384 (Beilstein Handbook Reference)
  • 3,5-Diiod-L-tyrosin
  • 3,5-Diiodo-4-hydroxyphenylalanine
  • 3,5-Diiodotyrosine
  • 3,5-Diiodotyrosine (VAN)
  • Agontan
  • Apothyrin
  • beta-(3,5-Diiod-4-hydroxyphenyl)alanin
  • beta-(4-Hydroxy-3,5-diiodophenyl)alanine
  • BRN 2218690
  • Cemiod
  • DIT
  • DIT (VAN)
  • Dityrin
  • DL-3,5-Diiodotyrosine
  • EINECS 200-620-3
  • EINECS 210-643-0
  • Flaianina
  • Gorgoic acid, diiodo-
  • Gorgonic acid, diiodo-
  • Iodogorgoic acid
  • Iodogorgonic acid
  • Itir
  • Jodgorgon
  • Jodgorgosaeure
  • L-2-Amino-3-(3,5-diiod-4-hydroxyphenyl)propionsaeure
  • NSC 208959
  • UNII-ST90Q60YF3

Systematic Names

  • 3,5-Diiodotyrosine
  • Tyrosine, 3,5-diiodo-

Registry Numbers

CAS Registry Number

  • 66-02-4

FDA UNII

  • ST90Q60YF3

Other Registry Number

  • 620-59-7

System Generated Number

  • 0000066024

Structure Descriptors

InChI

1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)

InChIKey

NYPYHUZRZVSYKL-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1O)I)C[C@@H](C(O)=O)N)I

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 1110mg/kg (1110mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 24(9), Pg. 38, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 213 dec deg C   EXP
pKa Dissociation Constant 2.21 (none) 0 EXP
log P (octanol-water) 0.570 (none)   EST
Water Solubility 600 mg/L 25 EXP
Vapor Pressure 8.22E-12 mm Hg 25 EST
Henry's Law Constant 6.73E-16 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.09E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.