TL;DR: 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate (CAS 17966-25-5) is a chemical compound with molecular formula C39H77O8P and molecular weight 704.5356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-octadecanoyloxy-3-phosphonooxypropyl) octadecanoate
Also Known As: Titan yellow, Distearoylphosphatidic acid, distearoylphoshadidylglycerol, 1-[(PHOSPHONOOXY)METHYL]ETHANE-1,2-DIYL DISTEARATE, (2-octadecanoyloxy-3-phosphonooxypropyl) octadecanoate
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C39H77O8P |
| Molecular Weight | 704.5356 g/mol |
| XLogP | 15.1 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 40 |
| Exact Mass | 704.5356 Da |
| Heavy Atoms | 48 |
| Complexity | 756.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | YFWHNAWEOZTIPI-UHFFFAOYSA-N |
The XLogP value of 15.1 indicates that 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate. Following Lipinski's Rule of Five, 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate is 17966-25-5.
The molecular formula of 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate is C39H77O8P.
The molecular weight of 1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate is 704.5356 g/mol.
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