| CAS Number | 1446012-36-7 |
| Catalog Number | AG019EOF(AGN-PC-0WG4HT) |
| Chemical Name | tert-butyl (2R,5S)-2-(hydroxymethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate |
| IUPAC Name | tert-butyl (2R,5S)-2-(hydroxymethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate |
| InChI | InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-7-6-13(9-14)5-4-10(8-15)17-13/h10,15H,4-9H2,1-3H3/t10-,13+/m1/s1 |
| InChI Key | JPSXMNITWFXVOJ-MFKMUULPSA-N |
| MDL Number | MFCD31758475 |
| Molecular Formula | C13H23NO4 |
| Molecular Weight | 257.3260 |
| SMILES | CC(C)(C)OC(=O)N1CC[C@@]2(CC[C@H](CO)O2)C1 |
| Synonyms | tert-butyl (2R,5S)-2-(hydroxymethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate,
1446012-36-7,
Racemic-(2R,5S)-Tert-Butyl 2-(Hydroxymethyl)-1-Oxa-7-Azaspiro[4.4]Nonane-7-Carboxylate,
CS-0060917,
|
| 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 | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number