| CAS Number | 1932638-86-2 |
| Catalog Number | AG019ERR |
| Chemical Name | (3aS,6aS)-5-Benzyl 1-tert-butyl tetrahydro-1H-pyrrolo[3,4-c]isoxazole-1,5(3H)-dicarboxylate |
| IUPAC Name | 5-O-benzyl 1-O-tert-butyl (3aS,6aS)-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c][1,2]oxazole-1,5-dicarboxylate |
| InChI | InChI=1S/C18H24N2O5/c1-18(2,3)25-17(22)20-15-10-19(9-14(15)12-24-20)16(21)23-11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15-/m1/s1 |
| InChI Key | OKWUAUYLENOMCO-HUUCEWRRSA-N |
| MDL Number | MFCD28390335 |
| Molecular Formula | C18H24N2O5 |
| Molecular Weight | 348.3936 |
| SMILES | O=C(N1C[C@H]2[C@@H](C1)N(OC2)C(=O)OC(C)(C)C)OCc1ccccc1 |
| Synonyms | 1932638-86-2,
Cis-5-Benzyl 1-Tert-Butyl Tetrahydro-1H-Pyrrolo[3,4-C]Isoxazole-1,5(3H)-Dicarboxylate,
1250993-12-4,
MFCD28390335,
ZINC91302793,
AKOS027256140,
cis-5-Benzyl 1-t-butyl tetrahydro-1H-pyrrolo[3,4-c]isoxazole-1,5(3H)-dicarboxylate,
5-O-benzyl 1-O-tert-butyl (3aS,6aS)-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c][1,2]oxazole-1,5-dicarboxylate,
|
| Complexity | 498 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 348.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.399g/mol |
| Monoisotopic Mass | 348.169g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number