POV-PC

Chemical Information
1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine is a 1,2-diacyl-sn-glycero-3-phosphocholine having palmitoyl and 5-oxovaleryl groups at the 1- and 2-positions respectively; major species at pH 7.3. It has a role as an apoptosis inducer. It is an aldehyde and a 1,2-diacyl-sn-glycero-3-phosphocholine. It is a conjugate base of a 1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine(1+).
| CAS Number | 121324-31-0 |
| PubChem CID | 23557187 |
| IUPAC Name | [(2R)-3-hexadecanoyloxy-2-(5-oxopentanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate |
| Molecular Formula | C29H56NO9P |
| Molecular Weight | 593.7 |
| XLogP | 5.9 |
| Topological Polar Surface Area | 128 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 30 |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 704 |
| Property | Value |
|---|---|
| Molecular Weight | 593.7 |
| XLogP3 | 5.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 30 |
| Exact Mass | 593.36926936 |
| Monoisotopic Mass | 593.36926936 |
| Topological Polar Surface Area | 128 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 704 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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