CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Colorless, needle-shaped crystals from acetone-ether |
|---|---|
| Melting Point | 188-189.5 °C |
| Optical Rotation | Specific optical rotation at 20 °C/D = +0.8 deg (c = 1.165 in absolute ethanol); -7.7 deg (c = 1.083 in chloroform) |
| pH | Oligosaccharide antibiotics are sensitive to acid pH because of the ortho-ester linkages. Acidic phenolic group makes them relatively unstable to handling conditions. |
| Other Experimental Properties | Dihydrate; colorless fine plates from acetone/ether; MP: 188-189 °C. Specific optical rotation at 20 °C/D: -4.8 deg (C = 1.44 in chloroform). UV Max (methanol): 228, 284 nm (log epsilon 4.12, 3.33) /Avilamycin C/ |
COMPUTED DESCRIPTORS
| Molecular Weight | 1404.2 g/mol |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 32 |
| Rotatable Bond Count | 20 |
| Exact Mass | 1402.4635760 g/mol |
| Monoisotopic Mass | 1402.4635760 g/mol |
| Topological Polar Surface Area | 385 Ų |
| Heavy Atom Count | 95 |
| Formal Charge | 0 |
| Complexity | 2660 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 29 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |