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Chemical Molecules
Molecule Details
| Molecule ID | MOL61 | ||
| Compound Name | 2-monopalmitin | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | 2-monopalmitin |
| Synonym Name | 2-Palmitoylglycerol, 2-Monopalmitoylglycerol |
| CAS ID | 23470-00-0 |
| IUPAC Name | 1,3-dihydroxypropan-2-yl hexadecanoate |
| Molecular Formula | C19H38O4 |
| Chemical Safety | |
| External Database ID |
123409 |
| Inchi | InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-18(16-20)17-21/h18,20-21H,2-17H2,1H3 |
| INCHI Key | BBNYCLAREVXOSG-UHFFFAOYSA-N |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)OC(CO)CO |
| Molecule Type | Natural |
| Group | Phytochemicals |
| Sub-Group 1 | - |
| Sub-Group 2 | - |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
2-Palmitoylglycerol is a 2-monoglyceride with a hexadecanoyl (palmitoyl) acyl group, serving as an algal metabolite and functionally connected to hexadecanoic acid. |
Chemical & Physical Properties
| Molecular Weight | 330.5 g/mol |
| LogP (Octanol-Water) | 5.275 |
| Hydrogen Donor Count | 2 |
| Bond Acceptor Count | 4 |
| Rotable Bond Count | 18 |
| Topological Surface Area | 66.8 Ų |
| Heavy Atom Count | 23 |
| Melting Point | Nil |
| Boiling Point | Nil |
| Water Solubility | Nil |
| Henry's Law Constant | Nil |
| pKa Dissociation Constant | Nil |
| Vapour Pressure | Nil |
| Molecule Density | Nil |
| Molecule Stability | Nil |
| Kovats retention Index | |
| Physical Description |
Solid |
Spectra Information
Biological Activities
| Activity Name | anti-bacterial |
| Molecule Target | |
| Comment |
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| References |
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