CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Collision Cross Section | 285.7 Ų [M+NH4]+ [CCS Type: TIMS, Method: calibrated with 4 ions from ESI LC/MS tuning mix (Agilent)] |
COMPUTED DESCRIPTORS
| Molecular Weight | 681.1 g/mol |
|---|---|
| XLogP3 | 18.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 42 |
| Exact Mass | 680.63187578 g/mol |
| Monoisotopic Mass | 680.63187578 g/mol |
| Topological Polar Surface Area | 72.8 Ų |
| Heavy Atom Count | 48 |
| Formal Charge | 0 |
| Complexity | 651 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |