MAGNESIUM PALMITATE
General Information
| Mainterm | MAGNESIUM PALMITATE |
| Doc Type | NUL |
| CAS Reg.No.(or other ID) | 2601-98-1 |
| Regnum |
175.300 172.863 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 9850060 |
| IUPAC Name | magnesium;hexadecanoate |
| InChI | InChI=1S/2C16H32O2.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2 |
| InChI Key | ABSWXCXMXIZDSN-UHFFFAOYSA-L |
| Canonical SMILES | CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[Mg+2] |
| Molecular Formula | C32H62MgO4 |
| Wikipedia | magnesium palmitate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 535.149 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 26 |
| Complexity | 172.0 |
| CACTVS Substructure Key Fingerprint | A A A D c f B 8 O A A A A C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A G g A A A A A A C A C A g A A C C A A A A A A I A A C Q C A A A A A A A A A A A A A E A A A A A A B I A A A A A A A A E A A A A A A G I y K C A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 80.3 |
| Monoisotopic Mass | 534.45 |
| Exact Mass | 534.45 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 3 |
From Pubchem