TL;DR: PtdIns(3)P (CAS 165689-81-6) is a chemical compound with molecular formula C41H80O16P2 and molecular weight 890.4922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-2-hexadecanoyloxy-3-[hydroxy-[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-phosphonooxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Also Known As: PtdIns(3)P, dipalmitoylphosphoinositol, PI(3)P, phosphatidylinositol-3-monophosphate, Phosphatidyl (3) inositol monophosphate
| Molecular Formula | C41H80O16P2 |
| Molecular Weight | 890.4922 g/mol |
| XLogP | 9.1 |
| Topological Polar Surface Area (TPSA) | 256.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 40 |
| Exact Mass | 890.4922 Da |
| Heavy Atoms | 59 |
| Complexity | 1170.0 |
| SMILES | CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | SZPQTEWIRPXBTC-KFOWTEFUSA-N |
The XLogP value of 9.1 indicates that PtdIns(3)P is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 256.0 Ų indicates high polarity, suggesting PtdIns(3)P may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, PtdIns(3)P has 7 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of PtdIns(3)P is 165689-81-6.
The molecular formula of PtdIns(3)P is C41H80O16P2.
The molecular weight of PtdIns(3)P is 890.4922 g/mol.
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