50998-13-5
Product Name:
N-Acetyl-β-neuraminic acid methyl ester monohydrate
Formula:
C12H21NO9
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COMPUTED DESCRIPTORS
| Molecular Weight | 323.30 g/mol |
|---|---|
| XLogP3 | -3.1 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 6 |
| Exact Mass | 323.12163125 g/mol |
| Monoisotopic Mass | 323.12163125 g/mol |
| Topological Polar Surface Area | 166 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 417 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |