32222-75-6
Product Name:
5-bromo-3-(10-methoxy-1,6-dimethylergolin-8beta-ylmethoxycarbonyl)pyridinium hydrogen [R-(R*,R*)]-tartrate
Formula:
C28H32BrN3O9
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COMPUTED DESCRIPTORS
| Molecular Weight | 634.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 633.13219 g/mol |
| Monoisotopic Mass | 633.13219 g/mol |
| Topological Polar Surface Area | 176 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 827 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |