CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White powder; [Sigma-Aldrich MSDS] |
|---|---|
| Collision Cross Section | 349.3 Ų [M+NH4]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)] |
| Chemical Classes | Biological Agents -> Fatty Acids and Fats |
COMPUTED DESCRIPTORS
| Molecular Weight | 975.6 g/mol |
|---|---|
| XLogP3 | 28.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 62 |
| Exact Mass | 974.92414161 g/mol |
| Monoisotopic Mass | 974.92414161 g/mol |
| Topological Polar Surface Area | 78.9 Ų |
| Heavy Atom Count | 69 |
| Formal Charge | 0 |
| Complexity | 975 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |