TL;DR: 1-Palmitoyl-2-(15-hydroxy-5,8,11,13-eicosatetraenoyl)-glycero-3-phosphocholine (CAS 125139-36-8) is a chemical compound with molecular formula C44H80NO9P and molecular weight 797.55707 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-3-hexadecanoyloxy-2-[(5Z,8E,11E,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: 1-Palm-2-15HETE PC, 1-Palmitoyl-2-(15-hydroxy-5,8,11,13-eicosatetraenoyl)-glycero-3-phosphocholine, [(2R)-3-hexadecanoyloxy-2-[(5Z,8E,11E,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate, 4,23-Dihydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxohexadecyl)oxy)methyl)-3,5,8-trioxa-4-phosphaoctacosa-13,16,19,21-tetraen-1-aminium hydroxide, inner salt, 4-oxide, (R-(R*,S*-(Z,E,E,E)))-, 3,5,8-Trioxa-4-phosphaoctacosa-13,16,19,21-tetraen-1-aminium, 4,23-dihydroxy-N,N,N-trimethyl-9-oxo-7-(((1-oxohexadecyl)oxy)methyl)-, hydroxide, inner salt, 4-oxide, (R-(R*,S*-(Z,E,E,E)))-
| Molecular Formula | C44H80NO9P |
| Molecular Weight | 797.55707 g/mol |
| XLogP | 11.4 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 40 |
| Exact Mass | 797.55707 Da |
| Heavy Atoms | 55 |
| Complexity | 1090.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C/C/C=C/C=C/[C@H](CCCCC)O |
| InChIKey | SJCASUIXKYTFID-IFPBASBBSA-N |
The XLogP value of 11.4 indicates that 1-Palmitoyl-2-(15-hydroxy-5,8,11,13-eicosatetraenoyl)-glycero-3-phosphocholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Palmitoyl-2-(15-hydroxy-5,8,11,13-eicosatetraenoyl)-glycero-3-phosphocholine. Following Lipinski's Rule of Five, 1-Palmitoyl-2-(15-hydroxy-5,8,11,13-eicosatetraenoyl)-glycero-3-phosphocholine has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Palmitoyl-2-(15-hydroxy-5,8,11,13-eicosatetraenoyl)-glycero-3-phosphocholine is 125139-36-8.
The molecular formula of 1-Palmitoyl-2-(15-hydroxy-5,8,11,13-eicosatetraenoyl)-glycero-3-phosphocholine is C44H80NO9P.
The molecular weight of 1-Palmitoyl-2-(15-hydroxy-5,8,11,13-eicosatetraenoyl)-glycero-3-phosphocholine is 797.55707 g/mol.
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