TL;DR: DG(16:1(9Z)/18:0/0:0) (CAS 127808-96-2) is a chemical compound with molecular formula C37H70O5 and molecular weight 594.52234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-hydroxypropan-2-yl] octadecanoate
Also Known As: Diacylglycerol, Diglyceride, Diacylglycerol(34:1), 1-palmitoleoyl-2-stearoyl-sn-glycerol, Diacylglycerol(16:1/18:0)
| Molecular Formula | C37H70O5 |
| Molecular Weight | 594.52234 g/mol |
| XLogP | 14.2 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 35 |
| Exact Mass | 594.52234 Da |
| Heavy Atoms | 42 |
| Complexity | 603.0 |
| SMILES | CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCC |
| InChIKey | SPBROLJVHYTNGF-BSNNDZOISA-N |
The XLogP value of 14.2 indicates that DG(16:1(9Z)/18:0/0:0) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for DG(16:1(9Z)/18:0/0:0). Following Lipinski's Rule of Five, DG(16:1(9Z)/18:0/0:0) has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DG(16:1(9Z)/18:0/0:0) is 127808-96-2.
The molecular formula of DG(16:1(9Z)/18:0/0:0) is C37H70O5.
The molecular weight of DG(16:1(9Z)/18:0/0:0) is 594.52234 g/mol.
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