NeuNAc-DHP
(2R,4S,5R,6R)-5-acetamido-2-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-6-ium-6-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Also Known As: NeuNAc-DHP|NeuNAc-3,4-dihydro-2H-pyrano[3,2-c]pyridine|(2R,4S,5R,6R)-5-acetamido-2-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-6-ium-6-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate|2H-Pyrano[3,2-c]pyridinium, 6-(N-acetyl-1-methyl-alpha-neuraminosyl)-3,4-dihydro-, inner salt (9CI)
| Molecular Formula | C19H26N2O9 |
|---|---|
| Molecular Weight | 426.16382 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.16382 |
| Monoisotopic Mass | 426.16382 |
| Heavy Atoms | 30 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 745035-16-9 |
|---|---|
| SMILES | CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)[O-])[N+]2=CC3=C(C=C2)OCCC3)O |
| InChIKey | RCBSZNFJWJCNRO-YZKZVDITSA-N |
Product Overview
NeuNAc-DHP (CAS 745035-16-9), with molecular formula C19H26N2O9 and molecular weight 426.16382 g/mol. IUPAC: (2R,4S,5R,6R)-5-acetamido-2-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-6-ium-6-yl)-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate.
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