| CAS Number | 1823417-97-5 |
| Catalog Number | AG019ESU(AGN-PC-0WG4H3) |
| Chemical Name | 5-Benzyl 2-tert-butyl 8-(hydroxymethyl)-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate |
| IUPAC Name | 5-O-benzyl 2-O-tert-butyl 8-(hydroxymethyl)-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate |
| InChI | InChI=1S/C21H30N2O5/c1-20(2,3)28-18(25)22-14-21(15-22)11-17(12-24)9-10-23(21)19(26)27-13-16-7-5-4-6-8-16/h4-8,17,24H,9-15H2,1-3H3 |
| InChI Key | HJXKZFGSFOGCPG-UHFFFAOYSA-N |
| MDL Number | MFCD28119046 |
| Molecular Formula | C21H30N2O5 |
| Molecular Weight | 390.4733 |
| SMILES | CC(C)(C)OC(=O)N1CC2(C1)CC(CO)CCN2C(=O)OCc1ccccc1 |
| Synonyms | 1823417-97-5,
5-Benzyl 2-tert-butyl 8-(hydroxymethyl)-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate,
MFCD28119046,
CS-0037825,
5-Benzyl 2-(tert-butyl) 8-(hydroxymethyl)-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate,
5-Benzyl 2-t-butyl 8-(hydroxymethyl)-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate,
5-Benzyl 2-Tert-Butyl 8-(Hydroxymethyl)-2,5-Diazaspiro[3.5]Nonane-2,5-Dicarboxylate(WX101621),
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| Complexity | 562 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 390.215g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 390.48g/mol |
| Monoisotopic Mass | 390.215g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 79.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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