≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Desiccated Ships Ice chest + Ice pads 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 -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.
| Sonrisas canónicas | CCCCCCCCCCCCCC#CC(=O)C1COC(N1C(=O)OC(C)(C)C)(C)C |
|---|---|
| IUPAC Name | tert-butyl (4S)-4-hexadec-2-ynoyl-2,2-dimethyl-1,3-oxazolidine-3-carboxylate |
| InChIKey | YGBSGZPIDCXNEH-QFIPXVFZSA-N |
| INCHI | 1S/C26H45NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(28)22-21-30-26(5,6)27(22)24(29)31-25(2,3)4/h22H,7-18,21H2,1-6H3/t22-/m0/s1 |
| Isómeros SMILES | CCCCCCCCCCCCCC#CC(=O)[C@@H]1COC(N1C(=O)OC(C)(C)C)(C)C |
| Peso molecular | 435.65 |
| Reaxy-Rn | 48382551 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=48382551&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 | Organoheterocyclic compounds |
| Clase | Azolidines |
| Subclass | Oxazolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Oxazolidines |
| Alternative Parents | Carbamate esters Alpha,beta-unsaturated ketones Ketones Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Alpha,beta-unsaturated ketone - Carbamic acid ester - Oxazolidine - Ketone - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as oxazolidines. These are compounds containing an oxazolidine moiety, which consists of a saturated aliphatic five-member ring with one oxygen atom, one nitrogen, three carbon atoms, and two double bonds. |
| External Descriptors | Not available |
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| Solubilidad | Soluble in DMSO to 5 mM |
|---|---|
| Peso molecular | 435.600 g/mol |
| XLogP3 | 8.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 14 |
| Exact Mass | 435.335 Da |
| Monoisotopic Mass | 435.335 Da |
| Topological Polar Surface Area | 55.800 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 620.000 |
| 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 |
