| CAS Number | 4421-58-3 |
| Catalog Number | AG00DEZB(AGN-PC-0RSCEK) |
| Chemical Name | 2-Stearoyl-sn-glycero-3-PC |
| IUPAC Name | [(2S)-3-hydroxy-2-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| InChI | InChI=1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)34-25(23-28)24-33-35(30,31)32-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m0/s1 |
| InChI Key | IQGPMZRCLCCXAG-VWLOTQADSA-N |
| MDL Number | MFCD30719903 |
| Molecular Formula | C26H54NO7P |
| Molecular Weight | 523.6832 |
| SMILES | OC[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[N+](C)(C)C)([O-])=O |
| Synonyms | 2-stearoyl-sn-glycero-3-phosphocholine,
SCHEMBL3410121,
4421-58-3,
|
| Complexity | 546 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 523.364g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 523.692g/mol |
| Monoisotopic Mass | 523.364g/mol |
| Rotatable Bond Count | 26 |
| Topological Polar Surface Area | 105A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number