Basic Description

Synonyms	3,5-Diiodo-L-tyrosine dihydrate \| 18835-59-1 \| (S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid dihydrate \| 312693-60-0 \| 3,5-DIIODOTYROSINE DIHYDRATE \| 3 5-DIIODO-L-TYROSINE DIHYDRATE 98 \| (S)-2-Amino-3-(4-hydroxy-3,5-diiodophenyl)-propanoic acid dihydrate \|
Specifications & Purity	10mM in DMSO
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Substrate for the assay of halogenated tyrosine and thyroid hormone aminotransferase. Intermediate in the biosynthesis and alternative pathways of metabolism of thyroid hormones.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Tyrosine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Tyrosine and derivatives
Alternative Parents	Phenylalanine and derivatives Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids O-iodophenols Aralkylamines Iodobenzenes Aryl iodides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organoiodides Organopnictogen compounds
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Alpha-amino acid - L-alpha-amino acid - 2-iodophenol - 2-halophenol - Aralkylamine - Halobenzene - Phenol - Iodobenzene - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Aryl halide - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Amine - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organoiodide - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid;dihydrate
INCHI	InChI=1S/C9H9I2NO3.2H2O/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);2*1H2/t7-;;/m0../s1
InChIKey	YWAGQOOMOOUEGY-KLXURFKVSA-N
Smiles	C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N.O.O
Isomeric SMILES	C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N.O.O
WGK Germany	3
Molecular Weight	469.01
Beilstein	2218691
Reaxy-Rn	47145031
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=47145031&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	469.010 g/mol
XLogP3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	468.888 Da
Monoisotopic Mass	468.888 Da
Topological Polar Surface Area	85.600 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	227.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	3

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Li Wenya, Gao Bingling, Yang Tao, Tang Liping, Song Dan, Li Hongmei, Sun Keqi, Xiao Peng. (2025) Development and validation of an isotope dilution-liquid chromatography (ID-LC–MS/MS)-based candidate reference measurement procedure for total 3,3′,5-triiodothyronine in human serum. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, (1-11).

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3,5-Diiodo-L-tyrosine dihydrate - 10mM in DMSO, high purity , CAS No.18835-59-1