| CAS Number | 1213783-80-2 |
| Catalog Number | AG009HH3 |
| Chemical Name | 1-hexacosanoyl-2-hydroxy-sn-glycero-3-phosphocholine |
| IUPAC Name | [(2R)-3-hexacosanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate |
| InChI | InChI=1S/C34H70NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-34(37)40-31-33(36)32-42-43(38,39)41-30-29-35(2,3)4/h33,36H,5-32H2,1-4H3/t33-/m1/s1 |
| InChI Key | WSDKRPCAPHRNNZ-MGBGTMOVSA-N |
| MDL Number | MFCD22416837 |
| Molecular Formula | C34H70NO7P |
| Molecular Weight | 635.8959 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(OC[C@@H](O)COP(OCC[N+](C)(C)C)([O-])=O)=O |
| Synonyms | lysoPC a C26:0,
lysoPC 26:0,
lysoPC(26:0),
1213783-80-2,
Q47012752,
3,5,9-Trioxa-4-phosphapentatriacontan-1-aminium, 4,7-dihydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide, (7R)-,
1-hexacosanoyl-2-hydroxy-sn-glycero-3-phosphocholine,
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| Complexity | 663 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 635.488991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 43 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 635.9g/mol |
| Monoisotopic Mass | 635.488991g/mol |
| Rotatable Bond Count | 34 |
| Topological Polar Surface Area | 105Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 11 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number