CHEMICAL AND PHYSICAL PROPERTIES
| Solubility | H2O < 0.1 (mg/mL) |
|---|---|
| Stability/Shelf Life | Bulk: The bulk compound is stable for at least four weeks at room temperature and 45 °C (HPLC). Solution: The room temperature stability in 10% aqueous ethanol (1 mg/mL) shows t 90 to be 1.5 hours and t 50 to be 19 hours (HPLC). |
| Optical Rotation | (c = 0.7, CHCl3) [a]20D = 17.7 ± 2° |
COMPUTED DESCRIPTORS
| Molecular Weight | 804.8 g/mol |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 17 |
| Rotatable Bond Count | 13 |
| Exact Mass | 804.32045019 g/mol |
| Monoisotopic Mass | 804.32045019 g/mol |
| Topological Polar Surface Area | 225 Ų |
| Heavy Atom Count | 57 |
| Formal Charge | 0 |
| Complexity | 1520 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 17 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |