| CAS Number | 1422344-50-0 |
| Catalog Number | AG00HWFD(AGN-PC-0WG4N9) |
| Chemical Name | 6-tert-butyl 8-ethyl (4aR,8S,8aR)-octahydro-2H-pyrano[3,2-c]pyridine-6,8-dicarboxylate |
| IUPAC Name | 6-O-tert-butyl 8-O-ethyl (4aR,8S,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6,8-dicarboxylate |
| InChI | InChI=1S/C16H27NO5/c1-5-20-14(18)12-10-17(15(19)22-16(2,3)4)9-11-7-6-8-21-13(11)12/h11-13H,5-10H2,1-4H3/t11-,12+,13-/m1/s1 |
| InChI Key | TULDOZFRXMWWCG-FRRDWIJNSA-N |
| MDL Number | MFCD23378547 |
| Molecular Formula | C16H27NO5 |
| Molecular Weight | 313.3893 |
| SMILES | CCOC(=O)[C@H]1CN(C[C@H]2CCCO[C@@H]12)C(=O)OC(C)(C)C |
| Synonyms | 1422344-50-0,
Racemic-(4aR,8S,8aR)-6-tert-butyl 8-ethyl hexahydro-2H-pyrano[3,2-c]pyridine-6,8(7H)-dicarboxylate,
CS-0038826,
6-(tert-Butyl) 8-ethyl (4aR,8S,8aR)-hexahydro-2H-pyrano[3,2-c]pyridine-6,8(5H)-dicarboxylate,
Rel-(4ar,8s,8ar)-6-tert-butyl 8-ethyl hexahydro-2h-pyrano[3,2-c]pyridine-6,8(7h)-dicarboxylate,
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| Complexity | 417 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.394g/mol |
| Monoisotopic Mass | 313.189g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 65.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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