| CAS Number | 1310381-38-4 |
| Catalog Number | AG00HSBZ(AGN-PC-0WG4LC) |
| Chemical Name | 5-Hydroxymethyl-hexahydro-pyrano[3,2-b]pyrrole-1-carboxylic acid tert-butyl ester |
| IUPAC Name | tert-butyl (3aR,5R,7aR)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxylate |
| InChI | InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-7-6-11-10(14)5-4-9(8-15)17-11/h9-11,15H,4-8H2,1-3H3/t9-,10-,11-/m1/s1 |
| InChI Key | DDODHLUDMIVDHJ-GMTAPVOTSA-N |
| MDL Number | MFCD21362257 |
| Molecular Formula | C13H23NO4 |
| Molecular Weight | 257.326 |
| SMILES | CC(C)(C)OC(=O)N1CC[C@H]2O[C@@H](CO)CC[C@@H]12 |
| Synonyms | 1310381-38-4,
5-Hydroxymethyl-hexahydro-pyrano[3,2-b]pyrrole-1-carboxylic acid tert-butyl ester,
Racemic-(3aR,5R,7aR)-tert-butyl 5-(hydroxymethyl)hexahydropyrano[3,2-b]pyrrole-1(2H)-carboxylate,
AM805442,
CS-0038243,
tert-Butyl (3aR,5R,7aR)-5-(hydroxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-1-carboxylate,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.163g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.33g/mol |
| Monoisotopic Mass | 257.163g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number