TL;DR: 3,6,9,12-Tetraoxaoctadecan-1-ol, dihydrogen phosphate (CAS 63217-12-9) is a chemical compound with molecular formula C14H31O8P and molecular weight 358.17566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethyl dihydrogen phosphate
Also Known As: 3,6,9,12-Tetraoxaoctadecyl dihydrogen phosphate, 3,6,9,12-Tetraoxaoctadecan-1-ol, dihydrogen phosphate, 3,6,9,12-tetraoxaoctadecyldihydrogenphosphate, 3,6,9,12-tetraoxaoctadec-1-yldihydrogen phosphate, 3,6,9,12-Tetraoxaoctadecan-1-ol, 1-(dihydrogen phosphate)
| Molecular Formula | C14H31O8P |
| Molecular Weight | 358.17566 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 358.17566 Da |
| Heavy Atoms | 23 |
| Complexity | 284.0 |
| SMILES | CCCCCCOCCOCCOCCOCCOP(=O)(O)O |
| InChIKey | ZCJFTNUEUAISRV-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6,9,12-Tetraoxaoctadecan-1-ol, dihydrogen phosphate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6,9,12-Tetraoxaoctadecan-1-ol, dihydrogen phosphate. Following Lipinski's Rule of Five, 3,6,9,12-Tetraoxaoctadecan-1-ol, dihydrogen phosphate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,6,9,12-Tetraoxaoctadecan-1-ol, dihydrogen phosphate is 63217-12-9.
The molecular formula of 3,6,9,12-Tetraoxaoctadecan-1-ol, dihydrogen phosphate is C14H31O8P.
The molecular weight of 3,6,9,12-Tetraoxaoctadecan-1-ol, dihydrogen phosphate is 358.17566 g/mol.
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