| CAS Number | 882508-22-7 |
| Catalog Number | AG01F3BF(AGN-PC-0VK6DG) |
| Chemical Name | Sodium [3-(hexadecyloxy)propoxy]({[(4-methylbenzenesulfonyl)oxy]methyl})phosphinic acid |
| IUPAC Name | sodium;3-hexadecoxypropoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid |
| InChI | InChI=1S/C27H49O7PS.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-32-23-17-24-33-35(28,29)25-34-36(30,31)27-20-18-26(2)19-21-27;/h18-21H,3-17,22-25H2,1-2H3,(H,28,29);/q;+1 |
| InChI Key | OPERKVZSSDIIPR-UHFFFAOYSA-N |
| MDL Number | MFCD30717749 |
| Molecular Formula | C27H48NaO7PS |
| Molecular Weight | 570.6944 |
| SMILES | O=S(OCP(OCCCOCCCCCCCCCCCCCCCC)([O-])=O)(C1=CC=C(C)C=C1)=O.[Na+] |
| Synonyms | Sodium [3-(hexadecyloxy)propoxy]({[(4-methylbenzenesulfonyl)oxy]methyl})phosphinic acid,
882508-22-7,
|
| Complexity | 658 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 571.283g/mol |
| Formal Charge | 1 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 571.706g/mol |
| Monoisotopic Mass | 571.283g/mol |
| Rotatable Bond Count | 24 |
| Topological Polar Surface Area | 108A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number