≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)CC(C(=O)[O-])N.[Na+] |
|---|---|
| IUPAC Name | sodium;(2R)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoate |
| InChIKey | YDTFRJLNMPSCFM-UTONKHPSSA-M |
| INCHI | 1S/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1/t12-;/m1./s1 |
| Isomeric SMILES | C1=C(C=C(C(=C1I)OC2=CC(=C(C(=C2)I)O)I)I)C[C@H](C(=O)[O-])N.[Na+] |
| Alternate CAS | 137-53-1 |
| PubChem CID | 23690433 |
| MeSH Entry Terms | Choloxin;D Thyroxine;D-T4 Thyroid Hormone;D-Thyroxine;Dextrothyroxine;Dextrothyroxine Sodium;Sodium Dextrothyroxine |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| 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 | Phenylalanine and derivatives |
| Alternative Parents | Diphenylethers Phenylpropanoic acids Diarylethers D-alpha-amino acids Amphetamines and derivatives Phenoxy compounds Phenol ethers O-iodophenols Iodobenzenes Aralkylamines Aryl iodides Carboxylic acid salts Amino acids Organic metal halides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organoiodides Organic zwitterions Organic sodium salts Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - Diphenylether - 3-phenylpropanoic-acid - Diaryl ether - D-alpha-amino acid - Amphetamine or derivatives - Alpha-amino acid - Phenoxy compound - Phenol ether - 2-iodophenol - 2-halophenol - Aralkylamine - Phenol - Iodobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl iodide - Aryl halide - Amino acid - Carboxylic acid salt - Organic metal halide - Organic alkali metal salt - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organic zwitterion - Primary amine - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | Not available |
| Molecular Weight | 798.850 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 798.669 Da |
| Monoisotopic Mass | 798.669 Da |
| Topological Polar Surface Area | 95.600 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 426.000 |
| 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 | 2 |
