| CAS Number | 1290627-68-7 |
| Catalog Number | AG00HRWI(AGN-PC-0WG4LF) |
| Chemical Name | Rel-(4as,6r,7as)-4-tert-butyl 6-ethyl hexahydrocyclopenta[b][1,4]oxazine-4,6(4ah)-dicarboxylate |
| IUPAC Name | 4-O-tert-butyl 6-O-ethyl (4aS,6R,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4,6-dicarboxylate |
| InChI | InChI=1S/C15H25NO5/c1-5-19-13(17)10-8-11-12(9-10)20-7-6-16(11)14(18)21-15(2,3)4/h10-12H,5-9H2,1-4H3/t10-,11+,12+/m1/s1 |
| InChI Key | RLBZVNJGAHTMMY-WOPDTQHZSA-N |
| MDL Number | MFCD19442507 |
| Molecular Formula | C15H25NO5 |
| Molecular Weight | 299.3627 |
| SMILES | CCOC(=O)[C@H]1C[C@@H]2OCCN([C@H]2C1)C(=O)OC(C)(C)C |
| Synonyms | 1290627-68-7,
Racemic-(4aS,6R,7aS)-4-tert-butyl 6-ethyl hexahydrocyclopenta[b][1,4]oxazine-4,6(4aH)-dicarboxylate,
CS-0035743,
(4aS,6R,7aS)-4-tert-Butyl 6-ethyl hexahydrocyclopenta[b][1,4]oxazine-4,6(4aH)-dicarboxylate,
Rel-(4as,6r,7as)-4-tert-butyl 6-ethyl hexahydrocyclopenta[b][1,4]oxazine-4,6(4ah)-dicarboxylate,
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| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.367g/mol |
| Monoisotopic Mass | 299.173g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number