TL;DR: CL(61:0) (CAS 1246429-81-1) is a chemical compound with molecular formula C70H134O17P2 and molecular weight 1308.9097 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R)-1-[[3-[[(2R)-2,3-di(pentadecanoyloxy)propoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (Z)-hexadec-9-enoate
Also Known As: CL(61:0), J3.122.805K, CL(1'-[15:0/15:0],3'-[15:0/16:1])[rac], CL(1'-[15:0/15:0],3'-[15:0/16:1(9Z)])[rac], 1'-[1,2-dipentadecanoyl-sn-glycero-3-phospho],3'-[1-pentadecanoyl,2-(9Z-hexadecenoyl)-sn-glycero-3-phospho]-rac-glycerol
| Molecular Formula | C70H134O17P2 |
| Molecular Weight | 1308.9097 g/mol |
| XLogP | 23.6 |
| Topological Polar Surface Area (TPSA) | 237.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 74 |
| Exact Mass | 1308.9097 Da |
| Heavy Atoms | 89 |
| Complexity | 1750.0 |
| SMILES | CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC(COP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC)O)OC(=O)CCCCCCCCCCCCCC |
| InChIKey | QTELCXCAXKRKBX-IGVWBLRISA-N |
The XLogP value of 23.6 indicates that CL(61:0) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 237.0 Ų indicates high polarity, suggesting CL(61:0) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CL(61:0) has 3 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CL(61:0) is 1246429-81-1.
The molecular formula of CL(61:0) is C70H134O17P2.
The molecular weight of CL(61:0) is 1308.9097 g/mol.
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