CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | White crystals; [Sigma-Aldrich MSDS] |
|---|---|
| Melting Point | 186 °C |
| Collision Cross Section | 166.6 Ų [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards] |
| Chemical Classes | Biological Agents -> Monosaccharides and Derivatives |
COMPUTED DESCRIPTORS
| Molecular Weight | 309.27 g/mol |
|---|---|
| XLogP3 | -3.5 |
| Hydrogen Bond Donor Count | 7 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 5 |
| Exact Mass | 309.10598118 g/mol |
| Monoisotopic Mass | 309.10598118 g/mol |
| Topological Polar Surface Area | 177 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 403 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
N-acetyl-beta-neuraminic acid is n-Acetylneuraminic acid with beta configuration at the anomeric centre. It has a role as an epitope. It is functionally related to a beta-neuraminic acid. It is a conjugate acid of a N-acetyl-beta-neuraminate.