| CAS Number | 2138287-73-5 |
| Catalog Number | AG01E8YY |
| Chemical Name | 4-[(tert-butoxy)carbonyl]-1,1-dioxo-1lambda6-thiomorpholine-2-carboxylic acid |
| IUPAC Name | 4-[(2-methylpropan-2-yl)oxycarbonyl]-1,1-dioxo-1,4-thiazinane-2-carboxylic acid |
| InChI | InChI=1S/C10H17NO6S/c1-10(2,3)17-9(14)11-4-5-18(15,16)7(6-11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13) |
| InChI Key | JSBDWNFERAZSIZ-UHFFFAOYSA-N |
| MDL Number | MFCD31421038 |
| Molecular Formula | C10H17NO6S |
| Molecular Weight | 279.3101 |
| SMILES | CC(OC(N1CC(C(O)=O)S(=O)(=O)CC1)=O)(C)C |
| Synonyms | AKOS034077466,
4-[(tert-butoxy)carbonyl]-1,1-dioxo-1lambda6-thiomorpholine-2-carboxylic acid,
2138287-73-5,
|
| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.307g/mol |
| Monoisotopic Mass | 279.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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