| CAS Number | 1212286-70-8 |
| Catalog Number | AG009BIR(AGN-PC-0WR1O7) |
| Chemical Name | Diexo-3-tert-butoxycarbonylamino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid |
| IUPAC Name | (1R,2S,3R,4S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid |
| InChI | InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-9-7-5-4-6(17-7)8(9)10(14)15/h6-9H,4-5H2,1-3H3,(H,13,16)(H,14,15)/t6-,7+,8-,9+/m1/s1 |
| InChI Key | XYLRDISIBZDXIN-XAVMHZPKSA-N |
| MDL Number | MFCD07783751 |
| Molecular Formula | C12H19NO5 |
| Molecular Weight | 257.2830 |
| SMILES | CC(OC(N[C@H]1[C@H]2O[C@H](CC2)[C@H]1C(O)=O)=O)(C)C |
| Synonyms | diexo-3-tert-Butoxycarbonylamino-7-oxa-bicyclo[2.2.1]heptane-2-carboxylic acid,
1212286-70-8,
MFCD07783751,
ZINC12954796,
AB42822,
T6314,
1932796-37-6,
|
| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.286g/mol |
| Monoisotopic Mass | 257.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number