| CAS Number | 1086136-22-2 |
| Catalog Number | AG008W1G(AGN-PC-0WH3OW) |
| Chemical Name | L-Pyroglutamic acid-d5 |
| IUPAC Name | (2S)-1,2,3,3,4-pentadeuterio-5-oxopyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1/i1D2,2D,3D/hD/t2?,3- |
| InChI Key | ODHCTXKNWHHXJC-MIFBWXGCSA-N |
| MDL Number | MFCD08704878 |
| Molecular Formula | C5H2D5NO3 |
| Molecular Weight | 134.1448 |
| SMILES | C1([2H])([2H])C([2H])([2H])[C@@]([2H])(C(O)=O)NC1=O |
| Synonyms | 5-Oxo-L-proline-d5,
1086136-22-2,
|
| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 134.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 5 |
| Molecular Weight | 134.146g/mol |
| Monoisotopic Mass | 134.074g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number