55447-91-1
Product Name:
β-D-Glucopyranosiduronic acid, 4-chloro-2-[[(2-chloro-4-nitrophenyl)amino]carbonyl]phenyl
Formula:
C19H16Cl2N2O10
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COMPUTED DESCRIPTORS
| Molecular Weight | 503.2 g/mol |
|---|---|
| XLogP3 | 1.9 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 502.0182001 g/mol |
| Monoisotopic Mass | 502.0182001 g/mol |
| Topological Polar Surface Area | 191 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 740 |
| 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 | 1 |
| Compound Is Canonicalized | Yes |