≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged,Desiccated Ships Wet ice 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=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)[O-])N)I)I)O.O.[Na+] |
|---|---|
| IUPAC Name | sodium;(2S)-2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate;hydrate |
| InChIKey | IRGJMZGKFAPCCR-LTCKWSDVSA-M |
| INCHI | 1S/C15H12I3NO4.Na.H2O/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22;;/h1-4,6,12,20H,5,19H2,(H,21,22);;1H2/q;+1;/p-1/t12-;;/m0../s1 |
| Isomeric SMILES | C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)[O-])N)I)I)O.O.[Na+] |
| WGK Germany | 3 |
| PubChem CID | 23687509 |
| Molecular Weight | 690.97 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 Amphetamines and derivatives L-alpha-amino acids Phenoxy compounds Phenol ethers O-iodophenols 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Iodobenzenes Aryl iodides Amino acids Carboxylic acid salts Organic metal halides Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organopnictogen compounds Carbonyl compounds Organic sodium salts Organic zwitterions Organoiodides Monoalkylamines |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - Diphenylether - 3-phenylpropanoic-acid - Diaryl ether - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - Phenoxy compound - Phenol ether - 2-iodophenol - 2-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Iodobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl iodide - Benzenoid - Monocyclic benzene moiety - Carboxylic acid salt - Amino acid - Organic metal halide - Carboxylic acid - Organic alkali metal salt - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organopnictogen compound - Primary aliphatic amine - Organic zwitterion - Organic salt - Organic sodium salt - Organic oxygen compound - Amine - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic nitrogen compound - Primary amine - Organohalogen compound - Organoiodide - Organonitrogen compound - 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 | 690.970 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 690.783 Da |
| Monoisotopic Mass | 690.783 Da |
| Topological Polar Surface Area | 96.600 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 408.000 |
| 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 |
