≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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.
| Pubchem Sid | 488186481 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488186481 |
| Canonical Smiles | CC(C(C(=O)O)NC(=O)OCC1=CC=CC=C1)O |
| IUPAC Name | (2S,3R)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoic acid |
| InChIKey | IPJUIRDNBFZGQN-SCZZXKLOSA-N |
| INCHI | 1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10+/m1/s1 |
| Isomeric SMILES | C[C@H]([C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)O |
| WGK Germany | 3 |
| Molecular Weight | 253.25 |
| Beilstein | 2335409 |
| Reaxy-Rn | 2139494 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2139494&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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Alpha amino acids and derivatives Beta hydroxy acids and derivatives Carbamate esters Secondary alcohols Organic carbonic acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Benzyloxycarbonyl - Beta-hydroxy acid - Hydroxy acid - Carbamic acid ester - Secondary alcohol - Carbonic acid derivative - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. |
| 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 |
|---|---|---|---|
 H1802049 | Certificate of Analysis | Mar 20, 2026 | Z100798 |
| D2225023 | Certificate of Analysis | Feb 04, 2026 | Z100798 |
| D2225033 | Certificate of Analysis | Feb 04, 2026 | Z100798 |
| D2225065 | Certificate of Analysis | Feb 04, 2026 | Z100798 |
| E2413530 | Certificate of Analysis | Mar 25, 2024 | Z100798 |
| I1517026 | Certificate of Analysis | May 08, 2023 | Z100798 |
| Specific Rotation[α] | -4.9 ° (C=2, AcOH) |
|---|---|
| Melt Point(°C) | 102.0 to 105.0 °C |
| Molecular Weight | 253.250 g/mol |
| XLogP3 | 0.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 253.095 Da |
| Monoisotopic Mass | 253.095 Da |
| Topological Polar Surface Area | 95.900 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 288.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| 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 |
