| CAS Number | 326495-23-2 |
| Catalog Number | AG00CILE(AGN-PC-0WNH9P) |
| Chemical Name | Octadecanoic acid, (2R)-3-[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]-2-hydroxypropyl ester, sodium salt |
| IUPAC Name | sodium;2,3-dihydroxypropyl [(2R)-2-hydroxy-3-octadecanoyloxypropyl] phosphate |
| InChI | InChI=1S/C24H49O9P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)31-19-23(27)21-33-34(29,30)32-20-22(26)18-25;/h22-23,25-27H,2-21H2,1H3,(H,29,30);/q;+1/p-1/t22?,23-;/m1./s1 |
| InChI Key | BXKMAWZFXVEIMC-DBCZNGTMSA-M |
| MDL Number | MFCD00674366 |
| Molecular Formula | C24H48NaO9P |
| Molecular Weight | 534.5961 |
| SMILES | CCCCCCCCCCCCCCCCCC(OC[C@@H](O)COP([O-])(OCC(O)CO)=O)=O.[Na+] |
| Synonyms | CHEMBL1095409,
CTK8F3474,
1-Stearoyl-sn-glycero-3-phospho-sn-1-glycerol sodium salt,
1-stearoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol) (sodiuM salt),
326495-23-2,
|
| Complexity | 525 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 534.293g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 534.603g/mol |
| Monoisotopic Mass | 534.293g/mol |
| Rotatable Bond Count | 26 |
| Topological Polar Surface Area | 146A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number