≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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 | CS(=O)(=O)OCCC(COS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1 |
|---|---|
| IUPAC Name | [(3R)-4-methylsulfonyloxy-3-(phenylmethoxycarbonylamino)butyl] methanesulfonate |
| InChIKey | LMSSVYYPSBHSLA-CYBMUJFWSA-N |
| INCHI | 1S/C14H21NO8S2/c1-24(17,18)22-9-8-13(11-23-25(2,19)20)15-14(16)21-10-12-6-4-3-5-7-12/h3-7,13H,8-11H2,1-2H3,(H,15,16)/t13-/m1/s1 |
| Isomeric SMILES | CS(=O)(=O)OCC[C@H](COS(=O)(=O)C)NC(=O)OCC1=CC=CC=C1 |
| PubChem CID | 59556122 |
| Molecular Weight | 395.45 |
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 | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzyloxycarbonyls |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzyloxycarbonyls |
| Alternative Parents | Sulfonic acid esters Organosulfonic acid esters Sulfonyls Methanesulfonates Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzyloxycarbonyl - Sulfonic acid ester - Organosulfonic acid ester - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Hydrocarbon derivative - 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 | 395.500 g/mol |
|---|---|
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 395.071 Da |
| Monoisotopic Mass | 395.071 Da |
| Topological Polar Surface Area | 142.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 600.000 |
| 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 |
