| CAS Number | 1171024-33-1 |
| Catalog Number | AG00HDSY(AGN-PC-0WG4OO) |
| Chemical Name | Racemic-(1S,3S,4S,6R,7S)-2-(Tert-Butoxycarbonyl)-6,7-Dihydroxy-2-Azabicyclo[2.2.1]Heptane-3-Carboxylic Acid |
| IUPAC Name | (3S,6R)-6,7-dihydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid |
| InChI | InChI=1S/C12H19NO6/c1-12(2,3)19-11(18)13-7(10(16)17)5-4-6(14)8(13)9(5)15/h5-9,14-15H,4H2,1-3H3,(H,16,17)/t5?,6-,7+,8?,9?/m1/s1 |
| InChI Key | YFHPVBNHISPGEM-MGPOHBFLSA-N |
| MDL Number | MFCD28390378 |
| Molecular Formula | C12H19NO6 |
| Molecular Weight | 273.2824 |
| SMILES | CC(C)(C)OC(=O)N1C2[C@H](O)CC(C2O)[C@H]1C(O)=O |
| Synonyms | 1171024-33-1,
Racemic-(1S,3S,4S,6R,7S)-2-(Tert-Butoxycarbonyl)-6,7-Dihydroxy-2-Azabicyclo[2.2.1]Heptane-3-Carboxylic Acid,
AM805266,
CS-0038091,
2-(tert-butoxycarbonyl)-6,7-dihydroxy-2-azabicyclo[2.2.1]heptane-3-carboxylicacid,
(2S,5R)-5,7-Dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[2.2.1]heptane-2-carboxylic acid,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.285g/mol |
| Monoisotopic Mass | 273.121g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number