TL;DR: 1-O-hexadec-1'-enyl-2-acetyl-sn-glycero-3-phosphocholine (CAS 114415-14-4) is a chemical compound with molecular formula C26H52NO7P and molecular weight 521.34814 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-2-acetyloxy-3-[(E)-hexadec-1-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: Ohea-gpc, Alk-1'-enylacetyl-gpc, 1-O-Hexadec-1'-enyl-2-acetyl-sn-glycero-3-phosphocholine, Bis[dimethyl(propan-2-yl)silyl] octadecanedioate, 16-[dimethyl(propan-2-yl)silyl]oxyhexadecan-1-ol
| Molecular Formula | C26H52NO7P |
| Molecular Weight | 521.34814 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 94.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 25 |
| Exact Mass | 521.34814 Da |
| Heavy Atoms | 35 |
| Complexity | 584.0 |
| SMILES | CCCCCCCCCCCCCC/C=C/OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)C |
| InChIKey | MULVVBYNDZRKPA-MLBYCOPISA-N |
The XLogP value of 6.7 indicates that 1-O-hexadec-1'-enyl-2-acetyl-sn-glycero-3-phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-hexadec-1'-enyl-2-acetyl-sn-glycero-3-phosphocholine. Following Lipinski's Rule of Five, 1-O-hexadec-1'-enyl-2-acetyl-sn-glycero-3-phosphocholine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-O-hexadec-1'-enyl-2-acetyl-sn-glycero-3-phosphocholine is 114415-14-4.
The molecular formula of 1-O-hexadec-1'-enyl-2-acetyl-sn-glycero-3-phosphocholine is C26H52NO7P.
The molecular weight of 1-O-hexadec-1'-enyl-2-acetyl-sn-glycero-3-phosphocholine is 521.34814 g/mol.
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