| CAS Number | 1933792-98-3 |
| Catalog Number | AG01DTOX |
| Chemical Name | tert-Butyl (7aS)-6-(hydroxymethyl)hexahydrocyclopenta[b][1,4]oxazine-4(4aH)-carboxylate |
| IUPAC Name | tert-butyl (7aS)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carboxylate |
| InChI | InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-4-5-17-11-7-9(8-15)6-10(11)14/h9-11,15H,4-8H2,1-3H3/t9?,10?,11-/m0/s1 |
| InChI Key | GQKOTFBRHHTXPW-ILDUYXDCSA-N |
| MDL Number | MFCD28390345 |
| Molecular Formula | C13H23NO4 |
| Molecular Weight | 257.3260 |
| SMILES | CC(C)(C)OC(=O)N1CCO[C@H]2CC(CO)CC12 |
| Synonyms | AS-74238,
CS-0080029,
tert-butyl (7aS)-6-(hydroxymethyl)-octahydrocyclopenta[b][1,4]oxazine-4-carboxylate,
tert-Butyl (7aS)-6-(hydroxymethyl)hexahydrocyclopenta[b][1,4]oxazine-4(4aH)-carboxylate,
1933792-98-3,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.162708g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.33g/mol |
| Monoisotopic Mass | 257.162708g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59Ų |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number