| CAS Number | 1821809-58-8 |
| Catalog Number | AG01DTL8 |
| Chemical Name | (2S,5R)-Tert-butyl 2-(iodomethyl)-1,7-dioxa-10-azaspiro[4.6]undecane-10-carboxylate |
| IUPAC Name | tert-butyl (5S)-2-(iodomethyl)-1,10-dioxa-7-azaspiro[4.6]undecane-7-carboxylate |
| InChI | InChI=1S/C14H24INO4/c1-13(2,3)20-12(17)16-6-7-18-10-14(9-16)5-4-11(8-15)19-14/h11H,4-10H2,1-3H3/t11?,14-/m0/s1 |
| InChI Key | GXDDETCOIZTESK-IAXJKZSUSA-N |
| MDL Number | MFCD28119040 |
| Molecular Formula | C14H24INO4 |
| Molecular Weight | 397.2491 |
| SMILES | IC[C@H]1CC[C@]2(O1)COCCN(C2)C(=O)OC(C)(C)C |
| Synonyms | Racemic-(2R,5R)-Tert-Butyl 2-(Iodomethyl)-1,7-Dioxa-10-Azaspiro[4.6]Undecane-10-Carboxylate,
Racemic-(2S,5R)-Tert-Butyl 2-(Iodomethyl)-1,7-Dioxa-10-Azaspiro[4.6]Undecane-10-Carboxylate,
1821809-58-8,
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| Complexity | 358 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 397.253g/mol |
| Monoisotopic Mass | 397.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 48A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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