CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | SOLID FROM ETHANOL-ETHER |
|---|---|
| Melting Point | 115 °C |
| Solubility | SOLUBLE IN WATER AND ALCOHOL |
| Optical Rotation | SPECIFIC OPTICAL ROTATION: -22.5 DEG @ 20 °C/D (C= 0.65 IN ETHANOL) |
COMPUTED DESCRIPTORS
| Molecular Weight | 421.6 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 421.28282334 g/mol |
| Monoisotopic Mass | 421.28282334 g/mol |
| Topological Polar Surface Area | 84.9 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 691 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 7 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |