90269-31-1
Product Name:
1-Bromo-4-((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)thio) -2,3-butanedione
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COMPUTED DESCRIPTORS
| Molecular Weight | 527.24 g/mol |
|---|---|
| XLogP3 | -2.1 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 13 |
| Rotatable Bond Count | 9 |
| Exact Mass | 525.95590 g/mol |
| Monoisotopic Mass | 525.95590 g/mol |
| Topological Polar Surface Area | 220 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 702 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |