TL;DR: 1-O-(12-(2-naphthyl)dodec-11-enyl)-2-O-decanoyl-sn-glycerol-3-phosphocholine (CAS 111621-45-5) is a chemical compound with molecular formula C40H66NO7P and molecular weight 703.4577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-2-decanoyloxy-3-[(E)-12-naphthalen-2-yldodec-11-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
Also Known As: NVPC, Naphthylvinyl phosphatidylcholine, 4-dimethoxymethyl-phenylamine, [(2R)-2-decanoyloxy-3-[(E)-12-naphthalen-2-yldodec-11-enoxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate, 1-O-(12-(2-Naphthyl)dodec-11-enyl)-2-O-decanoyl-sn-glycerol-3-phosphocholine
| Molecular Formula | C40H66NO7P |
| Molecular Weight | 703.4577 g/mol |
| XLogP | 10.7 |
| Topological Polar Surface Area (TPSA) | 94.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 31 |
| Exact Mass | 703.4577 Da |
| Heavy Atoms | 49 |
| Complexity | 899.0 |
| SMILES | CCCCCCCCCC(=O)O[C@H](COCCCCCCCCCC/C=C/C1=CC2=CC=CC=C2C=C1)COP(=O)([O-])OCC[N+](C)(C)C |
| InChIKey | MVIGONRFTOSFEZ-VVOGADNZSA-N |
The XLogP value of 10.7 indicates that 1-O-(12-(2-naphthyl)dodec-11-enyl)-2-O-decanoyl-sn-glycerol-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-(12-(2-naphthyl)dodec-11-enyl)-2-O-decanoyl-sn-glycerol-3-phosphocholine. Following Lipinski's Rule of Five, 1-O-(12-(2-naphthyl)dodec-11-enyl)-2-O-decanoyl-sn-glycerol-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-(12-(2-naphthyl)dodec-11-enyl)-2-O-decanoyl-sn-glycerol-3-phosphocholine is 111621-45-5.
The molecular formula of 1-O-(12-(2-naphthyl)dodec-11-enyl)-2-O-decanoyl-sn-glycerol-3-phosphocholine is C40H66NO7P.
The molecular weight of 1-O-(12-(2-naphthyl)dodec-11-enyl)-2-O-decanoyl-sn-glycerol-3-phosphocholine is 703.4577 g/mol.
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