| CAS Number | 1273566-32-7 |
| Catalog Number | AG00HROQ(AGN-PC-0WG4LK) |
| Chemical Name | RAcemic-(3S,3aS,6aS)-5-(tert-butoxycarbonyl)hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid |
| IUPAC Name | (3S,3aS,6aS)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-3-carboxylic acid |
| InChI | InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-4-7-8(10(14)15)6-17-9(7)5-13/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9-/m1/s1 |
| InChI Key | ZMNHADCKOZUFOT-IWSPIJDZSA-N |
| MDL Number | MFCD18793342 |
| Molecular Formula | C12H19NO5 |
| Molecular Weight | 257.2830 |
| SMILES | C(=O)(O)[C@H]1[C@@H]2[C@H](OC1)CN(C2)C(=O)OC(C)(C)C |
| Synonyms | 1273566-32-7,
Racemic-(3S,3aS,6aS)-5-(tert-butoxycarbonyl)hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid,
CS-0039038,
(3S,3aS,6aS)-5-(tert-Butoxycarbonyl)hexahydro-2H-furo[2,3-c]pyrrole-3-carboxylic acid,
Rel-(3s,3as,6as)-5-(tert-butoxycarbonyl)hexahydro-2h-furo[2,3-c]pyrrole-3-carboxylic acid,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.286g/mol |
| Monoisotopic Mass | 257.126g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number