| CAS Number | 1272756-98-5 |
| Catalog Number | AG01DTJF(AGN-PC-0WG4P7) |
| Chemical Name | RAcemic-(1S,3S,4S,5R)-2-Tert-Butyl 3-Ethyl 5-Hydroxy-2-Azabicyclo[2.2.2]Octane-2,3-Dicarboxylate |
| IUPAC Name | 2-O-tert-butyl 3-O-ethyl (3S,5R)-5-hydroxy-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate |
| InChI | InChI=1S/C15H25NO5/c1-5-20-13(18)12-10-7-6-9(8-11(10)17)16(12)14(19)21-15(2,3)4/h9-12,17H,5-8H2,1-4H3/t9?,10?,11-,12+/m1/s1 |
| InChI Key | OQSAJJZJGXXGDD-HCWSGVFWSA-N |
| MDL Number | MFCD28390395 |
| Molecular Formula | C15H25NO5 |
| Molecular Weight | 299.3627 |
| SMILES | CCOC(=O)[C@@H]1C2CCC(N1C(=O)OC(C)(C)C)C[C@H]2O |
| Synonyms | 1272756-98-5,
Racemic-(1S,3S,4S,5R)-2-Tert-Butyl 3-Ethyl 5-Hydroxy-2-Azabicyclo[2.2.2]Octane-2,3-Dicarboxylate,
AM805036,
CS-0038095,
2-O-tert-Butyl 3-O-ethyl (3S,5R)-5-hydroxy-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate,
2-tert-butyl 3-ethyl 5-hydroxy-2-azabicyclo[2.2.2]octane-2,3-dicarboxylate,
|
| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.367g/mol |
| Monoisotopic Mass | 299.173g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number