| CAS Number | 394208-50-5 |
| Catalog Number | AG003PTM(AGN-PC-0WR1K5) |
| Chemical Name | DL-Aspartic acid potassium salt hemihydrate |
| IUPAC Name | dipotassium;2-amino-4-hydroxy-4-oxobutanoate;hydrate |
| InChI | InChI=1S/2C4H7NO4.2K.H2O/c2*5-2(4(8)9)1-3(6)7;;;/h2*2H,1,5H2,(H,6,7)(H,8,9);;;1H2/q;;2*+1;/p-2 |
| InChI Key | YKZPPPNXRZHVGX-UHFFFAOYSA-L |
| MDL Number | MFCD31735133 |
| Molecular Formula | C8H14K2N2O9 |
| Molecular Weight | 360.4014 |
| SMILES | C(C(C(=O)[O-])N)C(=O)O.C(C(C(=O)[O-])N)C(=O)O.O.[K+].[K+] |
| Synonyms | Potassium DL-aspartate,
394208-50-5,
DTXSID10746604,
Potassium 2-amino-3-carboxypropanoate--water (2/2/1),
DL-Aspartic acid potassium salt hemihydrate, >=98.0% (NT),
DL-Aspartic acid potassium salt hemihydrate,
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| Complexity | 127 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 5 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 359.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.402g/mol |
| Monoisotopic Mass | 359.997g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 208A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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