≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged Ships Normal 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 | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)O)N |
|---|---|
| IUPAC Name | benzyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate;4-methylbenzenesulfonic acid |
| InChIKey | PJGVHBLZZQDFFM-XFULWGLBSA-N |
| INCHI | 1S/C16H17NO3.C7H8O3S/c17-15(10-12-6-8-14(18)9-7-12)16(19)20-11-13-4-2-1-3-5-13;1-6-2-4-7(5-3-6)11(8,9)10/h1-9,15,18H,10-11,17H2;2-5H,1H3,(H,8,9,10)/t15-;/m1./s1 |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)[C@@H](CC2=CC=C(C=C2)O)N |
| PubChem CID | 56777385 |
| Molecular Weight | 443.5 |
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 | Tyrosine and derivatives |
| Alternative Parents | Phenylalanine and derivatives Alpha amino acid esters p-Methylbenzenesulfonates Tosyl compounds Amphetamines and derivatives Benzyloxycarbonyls 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Fatty acid esters Sulfonyls Organosulfonic acids Carboxylic acid esters Monocarboxylic acids and derivatives Carbonyl compounds Monoalkylamines Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Not available |
| Substituents | Tyrosine or derivatives - Phenylalanine or derivatives - Alpha-amino acid ester - P-methylbenzenesulfonate - Amphetamine or derivatives - Benzyloxycarbonyl - Benzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Toluene - Aralkylamine - Benzenoid - Fatty acyl - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid ester - Monocarboxylic acid or derivatives - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Organooxygen compound - Carbonyl group - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen 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 |
| Molecular Weight | 443.500 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 443.14 Da |
| Monoisotopic Mass | 443.14 Da |
| Topological Polar Surface Area | 135.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 500.000 |
| 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 |
