62829-08-7
Product Name:
2H-Pyran-2,3,5-triol, 4,4-dibromo-6-ethoxytetrahydro-, triacetate (9CI)
Formula:
C13H18Br2O8
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COMPUTED DESCRIPTORS
| Molecular Weight | 516.13 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 2 |
| Exact Mass | 515.96649 g/mol |
| Monoisotopic Mass | 513.96854 g/mol |
| Topological Polar Surface Area | 191 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 232 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 4 |
| Compound Is Canonicalized | Yes |