TL;DR: 1,2-Diundecanoylphosphatidylethanolamine (CAS 117610-63-6) is a chemical compound with molecular formula C27H54NO8P and molecular weight 551.3587 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-undecanoyloxypropyl] undecanoate
Also Known As: DUPDE, phosphatidylethanolamine, 1,2-Diundecanoylphosphatidylethanolamine, 1,2-Diundecanoyl-sn-glycero-3-phosphoethanolamine, PE 22:0
| Molecular Formula | C27H54NO8P |
| Molecular Weight | 551.3587 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 29 |
| Exact Mass | 551.3587 Da |
| Heavy Atoms | 37 |
| Complexity | 605.0 |
| SMILES | CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCC |
| InChIKey | ZWPYUJDPKPNXJG-RUZDIDTESA-N |
The XLogP value of 4.8 indicates that 1,2-Diundecanoylphosphatidylethanolamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Diundecanoylphosphatidylethanolamine. Following Lipinski's Rule of Five, 1,2-Diundecanoylphosphatidylethanolamine has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2-Diundecanoylphosphatidylethanolamine is 117610-63-6.
The molecular formula of 1,2-Diundecanoylphosphatidylethanolamine is C27H54NO8P.
The molecular weight of 1,2-Diundecanoylphosphatidylethanolamine is 551.3587 g/mol.
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