3,5-Diiodo-L-tyrosine dihydrate - ≥98% , CAS No.18835-59-1

CAS: 18835-59-1 Cat. No.: D132937 Peso molecular: 469.01 Beilstein Registry Number: 2218691 Número EC: 629-243-6

GRADE & PURITY ≥98%

Synonyms

YWAGQOOMOOUEGY-KLXURFKVSA-N | A880520 | MFCD00150275 | 2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid hydrate | AC-24049 | C9H13I2NO5 | J-012136 | SCHEMBL1741366 | (S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid dihydrate | (S)-2-Amino-3-(4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Substrate for the assay of halogenated tyrosine and thyroid hormone aminotransferase. Intermediate in the biosynthesis and alternative pathways of metabolism of thyroid hormones.

Specifications

Sinónimos

YWAGQOOMOOUEGY-KLXURFKVSA-N | A880520 | MFCD00150275 | 2-amino-3-(4-hydroxy-3, 5-diiodophenyl)propanoic acid hydrate | AC-24049 | C9H13I2NO5 | J-012136 | SCHEMBL1741366 | (S)-2-amino-3-(4-hydroxy-3, 5-diiodophenyl)propanoic acid dihydrate | (S)-2-Amino-3-(4

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N.O.O
• IUPAC Name: (2S)-2-amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid;dihydrate
• InChIKey: YWAGQOOMOOUEGY-KLXURFKVSA-N
• 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
• Isómeros SMILES: C1=C(C=C(C(=C1I)O)I)C[C@@H](C(=O)O)N.O.O
• WGK Alemania: 3
• Peso molecular: 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase 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
• Clase: 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
• Descripción: 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

Data sources

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

Propiedades químicas y físicas

• Solubilidad: Soluble in ammonium hydroxide
• Sensibilidad: Moisture sensitive
• Peso molecular: 469.010 g/mol
• 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 Ų
• 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

XLogP3

Referencias

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,      [PMID:40119927] [10.1007/s00216-025-05834-y]