≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C 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=C1)COC(=O)C(CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3 |
|---|---|
| IUPAC Name | benzyl (2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate |
| InChIKey | MUSDDUICYXQXRT-QFIPXVFZSA-N |
| INCHI | 1S/C24H23NO5/c26-21-13-11-18(12-14-21)15-22(23(27)29-16-19-7-3-1-4-8-19)25-24(28)30-17-20-9-5-2-6-10-20/h1-14,22,26H,15-17H2,(H,25,28)/t22-/m0/s1 |
| Isomeric SMILES | C1=CC=C(C=C1)COC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3 |
| Molecular Weight | 405.4 |
| Reaxy-Rn | 2228613 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2228613&ln= |
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 Benzyloxycarbonyls Amphetamines and derivatives Fatty acid esters 1-hydroxy-2-unsubstituted benzenoids Carbamate esters Carboxylic acid esters Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tyrosine or derivatives - Phenylalanine or derivatives - Alpha-amino acid ester - Amphetamine or derivatives - Benzyloxycarbonyl - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Phenol - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Carbamic acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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 |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2314177 | Certificate of Analysis | Dec 06, 2023 | C185165 |
| L2314250 | Certificate of Analysis | Dec 06, 2023 | C185165 |
| L2314251 | Certificate of Analysis | Dec 06, 2023 | C185165 |
| L2314252 | Certificate of Analysis | Dec 06, 2023 | C185165 |
| L2314253 | Certificate of Analysis | Dec 06, 2023 | C185165 |
| L2314254 | Certificate of Analysis | Dec 06, 2023 | C185165 |
| L2314255 | Certificate of Analysis | Dec 06, 2023 | C185165 |
| Specific Rotation[α] | - 25 ± 2º ( C=1 in DMF ) |
|---|---|
| Melt Point(°C) | 115-120°C |
| Molecular Weight | 405.400 g/mol |
| XLogP3 | 3.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 10 |
| Exact Mass | 405.158 Da |
| Monoisotopic Mass | 405.158 Da |
| Topological Polar Surface Area | 84.900 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 520.000 |
| 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 |
