Basic information
- Standard SMILES
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)(C(=O)O)C[C@@H]1O- InChIKey
GKHDMBQTTHCDCR-AQQDFGJOSA-N- Molecular formula
- C17H29NO14
- Average molar mass
- 471.4 g/mol
- Monoisotopic mass
- 471.1588046
Names & identifiers
- Preferred name
- 3-O-(N-Acetyl-alpha-neuraminosyl)-beta-D-galactopyranose
- IUPAC
- (2S,4S,5R,6R)-5-acetamido-4-hydroxy-2-[(2R,3R,4S,5S,6R)-2,3,5-trihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Names & synonyms
DTXSID80123262238711-45-43-O-(N-Acetyl-alpha-neuraminosyl)-beta-D-galactopyranoseRefChem:935695GlyTouCan:G30207PZDTXCID401663827G30207PZNeuAcalpha2-3Galbetaalpha-Neup5Ac-(2->3)-beta-D-GalpalphaNeuAc2-3betaGalNeu5Acalpha2-3GalbetaCHEBI:63155
Show more names
alpha-Neu5Ac-(2->3)-beta-D-Gal3-O-(5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-beta-D-galactopyranosealpha-D-N-acetylneuraminyl-(2->3)-beta-D-galactose5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulonosyl-(2->3)-beta-D-galactose5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranose1uxa1uxbNeu5Aca2-3Galb
Database identifiers
- CAS
38711-45-4- PubChem CID
- 5289366
- DTXSID
DTXSID801232622- ChEBI
CHEBI:63155- Nikkaji
- J963.409F
Properties
Computed structural properties
- XLogP
- -5.1
- Topological polar surface area
- 256 Ų
- Hydrogen bond donors
- 10
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 665
Related reactions
5 records
Linked notes
Loading…