| CAS Number | 913979-52-9 |
| Catalog Number | AG01DWU8 |
| Chemical Name | 3-(tert-Butyl) 4-methyl (S)-1,2,3-oxathiazolidine-3,4-dicarboxylate 2,2-dioxide |
| IUPAC Name | 3-O-tert-butyl 4-O-methyl 2,2-dioxooxathiazolidine-3,4-dicarboxylate |
| InChI | InChI=1S/C9H15NO7S/c1-9(2,3)17-8(12)10-6(7(11)15-4)5-16-18(10,13)14/h6H,5H2,1-4H3 |
| InChI Key | HJGPFSSCXYNPJJ-UHFFFAOYSA-N |
| MDL Number | MFCD29076504 |
| Molecular Formula | C9H15NO7S |
| Molecular Weight | 281.2829 |
| SMILES | O1S(N([C@@H](C1)C(=O)OC)C(=O)OC(C)(C)C)(=O)=O |
| Synonyms | 3-tert-butyl 4-methyl (4S)-2,2-dioxo-1,2lambda6,3-oxathiazolidine-3,4-dicarboxylate,
913979-52-9,
|
| Complexity | 445 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.279g/mol |
| Monoisotopic Mass | 281.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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