TL;DR: CL(1'-(18:2(9Z,12Z)/18:2(9Z,12Z)),3'-(18:2(9Z,12Z)/18:2(9Z,12Z))) (CAS 152595-52-3) is a chemical compound with molecular formula C81H142O17P2 and molecular weight 1448.9722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-3-[[3-[[(2R)-2,3-bis[[(9Z,12Z)-octadeca-9,12-dienoyl]oxy]propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
Also Known As: Tetralinoleoyl cardiolipin, cardiolipin, ex bovine heart, diphosphatidylglycerol, Cardiolipin(72:8)
| Molecular Formula | C81H142O17P2 |
| Molecular Weight | 1448.9722 g/mol |
| XLogP | 24.0 |
| Topological Polar Surface Area (TPSA) | 237.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 78 |
| Exact Mass | 1448.9722 Da |
| Heavy Atoms | 100 |
| Complexity | 2120.0 |
| SMILES | CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)O)O |
| InChIKey | LSHJMDWWJIYXEM-XGJIDDIWSA-N |
The XLogP value of 24.0 indicates that CL(1'-(18:2(9Z,12Z)/18:2(9Z,12Z)),3'-(18:2(9Z,12Z)/18:2(9Z,12Z))) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 237.0 Ų indicates high polarity, suggesting CL(1'-(18:2(9Z,12Z)/18:2(9Z,12Z)),3'-(18:2(9Z,12Z)/18:2(9Z,12Z))) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CL(1'-(18:2(9Z,12Z)/18:2(9Z,12Z)),3'-(18:2(9Z,12Z)/18:2(9Z,12Z))) has 3 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CL(1'-(18:2(9Z,12Z)/18:2(9Z,12Z)),3'-(18:2(9Z,12Z)/18:2(9Z,12Z))) is 152595-52-3.
The molecular formula of CL(1'-(18:2(9Z,12Z)/18:2(9Z,12Z)),3'-(18:2(9Z,12Z)/18:2(9Z,12Z))) is C81H142O17P2.
The molecular weight of CL(1'-(18:2(9Z,12Z)/18:2(9Z,12Z)),3'-(18:2(9Z,12Z)/18:2(9Z,12Z))) is 1448.9722 g/mol.
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