TL;DR: 1,2-Dieicosanoyl-sn-glycerol (CAS 147514-21-4) is a chemical compound with molecular formula C43H84O5 and molecular weight 680.6319 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-3-hydroxy-2-icosanoyloxypropyl] icosanoate
Also Known As: Diacylglycerol, Diglyceride, 1,2-dieicosanoyl-sn-glycerol, Diacylglycerol(40:0), 1,2-Diarachidoyl-sn-glycerol
| Molecular Formula | C43H84O5 |
| Molecular Weight | 680.6319 g/mol |
| XLogP | 18.4 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 42 |
| Exact Mass | 680.6319 Da |
| Heavy Atoms | 48 |
| Complexity | 651.0 |
| SMILES | CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCCCC |
| InChIKey | AGUTXIBMYVFOMK-RWYGWLOXSA-N |
The XLogP value of 18.4 indicates that 1,2-Dieicosanoyl-sn-glycerol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dieicosanoyl-sn-glycerol. Following Lipinski's Rule of Five, 1,2-Dieicosanoyl-sn-glycerol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2-Dieicosanoyl-sn-glycerol is 147514-21-4.
The molecular formula of 1,2-Dieicosanoyl-sn-glycerol is C43H84O5.
The molecular weight of 1,2-Dieicosanoyl-sn-glycerol is 680.6319 g/mol.
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