| CAS Number | 1821809-76-0 |
| Catalog Number | AG01DTOT |
| Chemical Name | Racemic-tert-butyl (3R,5S)-3-hydroxy-1-oxa-9-azaspiro[4.5]decane-9-carboxylate |
| IUPAC Name | tert-butyl (3R,5S)-3-hydroxy-1-oxa-9-azaspiro[4.5]decane-9-carboxylate |
| InChI | InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-6-4-5-13(9-14)7-10(15)8-17-13/h10,15H,4-9H2,1-3H3/t10-,13+/m1/s1 |
| InChI Key | LILGESIHSOUCBM-MFKMUULPSA-N |
| MDL Number | MFCD25509353 |
| Molecular Formula | C13H23NO4 |
| Molecular Weight | 257.3260 |
| SMILES | CC(C)(C)OC(=O)N1CCCC2(C1)CC(CO2)O |
| Synonyms | 1445951-75-6,
Racemic-(3R,5S)-Tert-Butyl 3-Hydroxy-1-Oxa-7-Azaspiro[4.5]Decane-7-Carboxylate,
MFCD25509353,
ZINC95742949,
CS-0037893,
tert-Butyl (3R,5S)-3-hydroxy-1-oxa-7-azaspiro[4.5]decane-7-carboxylate,
Racemic-(3R,5S)-t-butyl 3-hydroxy-1-oxa-7-azaspiro[4.5]decane-7-carboxylate,
|
| Complexity | 325 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.163g/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 | 257.163g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number