NeuNAc_pyridine
Basic information
- CAS
300594-81-4- Standard SMILES
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](C(=O)[O-])([n+]2ccccc2)C[C@@H]1O- InChIKey
DUTZOGLMBYINCT-RYQQKAPKSA-N- Molecular formula
- C16H22N2O8
- Average molar mass
- 370.35 g/mol
- Monoisotopic mass
- 370.13761566
Names & identifiers
- Preferred name
- NeuNAc_pyridine
- IUPAC
- (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-pyridin-1-ium-1-yl-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Names & synonyms
NeuNAc_pyridine300594-81-4DTXSID20349362Pyridinium, 1-(N-acetyl-alpha-neuraminosyl)-, inner salt (9CI)(2R,4S,5R,6R)-5-Acetamido-4-hydroxy-2-(pyridin-1-ium-1-yl)-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Database identifiers
- CAS
300594-81-4- PubChem CID
- 644296
- DTXSID
DTXSID20349362
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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