CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Solid |
---|---|
LogP | 21.23 |
Collision Cross Section | 329.37 Ų [M+NH4]+ [CCS Type: DT; Buffer gas: N2; Sample Type: Human plasma; Dataset: Ambiguous Lipids] |
Chemical Classes | Lipids -> Ambiguous Lipids |
COMPUTED DESCRIPTORS
Molecular Weight | 889.5 g/mol |
---|---|
XLogP3 | 24.3 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 55 |
Exact Mass | 888.81459116 g/mol |
Monoisotopic Mass | 888.81459116 g/mol |
Topological Polar Surface Area | 78.9 Ų |
Heavy Atom Count | 63 |
Formal Charge | 0 |
Complexity | 928 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |