| CAS Number | 97759-16-5 |
| Catalog Number | AG01ENZF(AGN-PC-0W7HZX) |
| Chemical Name | S186 |
| IUPAC Name | (1-acetamido-1-phosphonopropyl)phosphonic acid;calcium;sodium |
| InChI | InChI=1S/C5H13NO7P2.Ca.Na/c1-3-5(6-4(2)7,14(8,9)10)15(11,12)13;;/h3H2,1-2H3,(H,6,7)(H2,8,9,10)(H2,11,12,13);; |
| InChI Key | WPTHTLCSASTWJP-UHFFFAOYSA-N |
| MDL Number | MFCD28168001 |
| Molecular Formula | C5H10CaNNaO7P2 |
| Molecular Weight | 321.1507 |
| SMILES | C(P([O-])([O-])=O)(CC)(P(O[Na])(O)=O)NC(C)=O.[Ca+2] |
| Synonyms | S186,
97759-16-5,
AKOS030527044,
CS-2286,
HY-13950,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.174g/mol |
| Monoisotopic Mass | 323.969g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 144A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number