AC1O09V8
2-[[(E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Also Known As: N-Hexadecanoyl-D-sphingosine-1-phosphocholine|N-Palmitoyl-D-sphingomyelin semisynthetic from bovine brain sphingomyelin|2-[[(E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
CAS: 6254-89-3
| Molecular Formula | C39H80N2O6P+ |
|---|---|
| Molecular Weight | 703.5754 g/mol |
| LogP | 10.4105 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 36 |
| Exact Mass | 703.5754 |
| Monoisotopic Mass | 703.5754 |
| Heavy Atoms | 48 |
| Complexity | 803.83575 |
Chemical Identifiers
| CAS Number | 6254-89-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCC(=O)NC(COP(=O)(O)OCC[N+](C)(C)C)C(/C=C/CCCCCCCCCCCCC)O |
Product Overview
AC1O09V8 (CAS 6254-89-3), with molecular formula C39H80N2O6P+ and molecular weight 703.5754 g/mol. IUPAC: 2-[[(E)-2-(hexadecanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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