≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged 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.
| ALogP | -2.1 |
|---|
| Canonical Smiles | C1=CC(=CC=C1CC(C(=O)O)N)OS(=O)(=O)O |
|---|---|
| IUPAC Name | (2S)-2-amino-3-(4-sulfooxyphenyl)propanoic acid |
| InChIKey | CIQHWLTYGMYQQR-QMMMGPOBSA-N |
| INCHI | 1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1 |
| Isomeric SMILES | C1=CC(=CC=C1C[C@@H](C(=O)O)N)OS(=O)(=O)O |
| PubChem CID | 514186 |
| Molecular Weight | 261.25 |
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 | Phenylsulfates Phenylpropanoic acids L-alpha-amino acids Amphetamines and derivatives Phenoxy compounds Aralkylamines Sulfuric acid monoesters Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylalanine or derivatives - 3-phenylpropanoic-acid - Phenylsulfate - Alpha-amino acid - Amphetamine or derivatives - Arylsulfate - L-alpha-amino acid - Phenoxy compound - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Sulfuric acid ester - Sulfate-ester - Sulfuric acid monoester - Organic sulfuric acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Primary aliphatic amine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Primary 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 | L-tyrosine derivative - O-sulfoamino acid |
| Molecular Weight | 261.250 g/mol |
|---|---|
| XLogP3 | -2.100 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 261.031 Da |
| Monoisotopic Mass | 261.031 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 354.000 |
| 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 | 1 |
