| CAS Number | 1330766-33-0 |
| Catalog Number | AG00HSSJ(AGN-PC-0WG4M5) |
| Chemical Name | Rel-(3s,3as,7ar)-tert-butyl 3-hydroxyhexahydropyrano[3,2-b]pyrrole-1(2h)-carboxylate |
| IUPAC Name | tert-butyl (3S,3aS,7aR)-3-hydroxy-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxylate |
| InChI | InChI=1S/C12H21NO4/c1-12(2,3)17-11(15)13-7-9(14)10-8(13)5-4-6-16-10/h8-10,14H,4-7H2,1-3H3/t8-,9+,10+/m1/s1 |
| InChI Key | YGPOVGXTDBUOGY-UTLUCORTSA-N |
| MDL Number | MFCD20230959 |
| Molecular Formula | C12H21NO4 |
| Molecular Weight | 243.2994 |
| SMILES | CC(C)(C)OC(=O)N1C[C@H](O)[C@H]2OCCC[C@@H]12 |
| Synonyms | 1330766-33-0,
Racemic-(3S,3aS,7aR)-tert-butyl 3-hydroxyhexahydropyrano[3,2-b]pyrrole-1(2H)-carboxylate,
AM805602,
CS-0038603,
tert-butyl 3-hydroxyhexahydropyrano[3,2-b]pyrrole-1(2H)-carboxylate,
Rel-(3s,3as,7ar)-tert-butyl 3-hydroxyhexahydropyrano[3,2-b]pyrrole-1(2h)-carboxylate,
tert-Butyl (3S,3aS,7aR)-3-hydroxyhexahydropyrano[3,2-b]pyrrole-1(2H)-carboxylate,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.303g/mol |
| Monoisotopic Mass | 243.147g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number