≥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.
Store at Room Temperature. The product can be stored for up to 12 months.
| Canonical Smiles | CCCCCCCCCCCCCCCC(=O)OC(C1=CC=C(C=C1)S(=O)(=O)C)C(CO)NC(=O)C(Cl)Cl |
|---|---|
| IUPAC Name | [(1R,2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-1-(4-methylsulfonylphenyl)propyl] hexadecanoate |
| InChIKey | ROGLXKYZAOFGQO-AOYPEHQESA-N |
| INCHI | 1S/C28H45Cl2NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(33)37-26(24(21-32)31-28(34)27(29)30)22-17-19-23(20-18-22)38(2,35)36/h17-20,24,26-27,32H,3-16,21H2,1-2H3,(H,31,34)/t24-,26-/m1/s1 |
| Isomeric SMILES | CCCCCCCCCCCCCCCC(=O)O[C@H](C1=CC=C(C=C1)S(=O)(=O)C)[C@@H](CO)NC(=O)C(Cl)Cl |
| PubChem CID | 6452680 |
| Molecular Weight | 594.63 |
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 | Benzenesulfonyl compounds Fatty acid esters Sulfones Secondary carboxylic acid amides Carboxylic acid esters Monocarboxylic acids and derivatives Primary alcohols Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Benzenesulfonyl group - Fatty acid ester - Fatty acyl - Sulfone - Sulfonyl - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Alkyl chloride - Primary alcohol - Alcohol - Carbonyl group - Organic nitrogen compound - Alkyl halide - Organic oxide - 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 |
| Molecular Weight | 594.600 g/mol |
|---|---|
| XLogP3 | 7.600 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 22 |
| Exact Mass | 593.234 Da |
| Monoisotopic Mass | 593.234 Da |
| Topological Polar Surface Area | 118.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 751.000 |
| 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 |
