CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Prisms from water |
|---|---|
| Melting Point | 135-138 °C |
| Solubility | Sol in water about 10 g/100 ml; slightly sol in alc, acetone |
| Optical Rotation | Specific optical rotation: 25 deg at 25 °C/D (c = 2) |
| pH | 3% aq solution: about 3.2 |
COMPUTED DESCRIPTORS
| Molecular Weight | 400.3 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 399.06814 g/mol |
| Monoisotopic Mass | 399.06814 g/mol |
| Topological Polar Surface Area | 77.1 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 460 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 5 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |