NeuNAc-DHP
Basic information
- CAS
745035-16-9- Standard SMILES
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@](C(=O)[O-])([n+]2ccc3c(c2)CCCO3)C[C@@H]1O- InChIKey
RCBSZNFJWJCNRO-YZKZVDITSA-N- Molecular formula
- C19H26N2O9
- Average molar mass
- 426.4 g/mol
- Monoisotopic mass
- 426.16383041
Names & identifiers
- Preferred name
- NeuNAc-DHP
- 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
Names & synonyms
NeuNAc-DHP745035-16-9DTXSID60349366(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-carboxylateNeuNAc-3,4-dihydro-2H-pyrano[3,2-c]pyridine2H-Pyrano[3,2-c]pyridinium, 6-(N-acetyl-1-methyl-alpha-neuraminosyl)-3,4-dihydro-, inner salt (9CI)
Database identifiers
- CAS
745035-16-9- PubChem CID
- 644304
- DTXSID
DTXSID60349366
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 172 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 630
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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