| CAS Number | 1103672-43-0 |
| Catalog Number | AG008WJB(AGN-PC-0WAHD2) |
| Chemical Name | S32826 (disodium) |
| IUPAC Name | disodium;N-[4-(phosphonatomethyl)phenyl]tetradecanamide |
| InChI | InChI=1S/C21H36NO4P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(23)22-20-16-14-19(15-17-20)18-27(24,25)26;;/h14-17H,2-13,18H2,1H3,(H,22,23)(H2,24,25,26);;/q;2*+1/p-2 |
| InChI Key | DGRFALMFDGBLCP-UHFFFAOYSA-L |
| MDL Number | MFCD18910879 |
| Molecular Formula | C21H34NNa2O4P |
| Molecular Weight | 441.4523 |
| SMILES | O=C(CCCCCCCCCCCCC)NC1C=CC(CP(O[Na])(O[Na])=O)=CC=1 |
| Synonyms | (4-(tetradecanoylamino)benzyl)phosphonic acid,
S 32826,
S-32826,
S32826,
S 32826,
S32826,
1103672-43-0,
S32826 disodium salt hydrate,
AKOS024457608,
J-002417,
[4-(Tetradecanoylamino)benzyl]phosphonic acid disodium salt,
4-(tetradecanoylamino) benzyl phosphonic acid disodium salt,
[4-(Tetradecanoylamino)benzyl]phosphonic acid disodium salt hydrate,
|
| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 441.202g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 441.459g/mol |
| Monoisotopic Mass | 441.202g/mol |
| Rotatable Bond Count | 14 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number