D-glycero-beta-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, barium salt (2:1)
Basic information
- CAS
114767-11-2- Standard SMILES
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)C[O-])O[C@](O)(C(=O)O)C[C@@H]1O.CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)C[O-])O[C@](O)(C(=O)O)C[C@@H]1O.[Ba+2]- InChIKey
LRUIMFARSYLFLS-BNMLIUAKSA-N- Molecular formula
- C22H36BaN2O18
- Average molar mass
- 753.9 g/mol
- Monoisotopic mass
- 754.101559
Names & identifiers
- Preferred name
- D-glycero-beta-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, barium salt (2:1)
- IUPAC
- bis((2R,3R)-3-[(2R,3R,4S,6S)-3-acetamido-6-carboxy-4,6-dihydroxyoxan-2-yl]-2,3-dihydroxypropan-1-olate);barium(2+)
Names & synonyms
114767-11-2D-glycero-beta-D-galacto-2-Nonulopyranosonic acid, 5-(acetylamino)-3,5-dideoxy-, barium salt (2:1)RefChem:1082903Barium N-acetylneuraminateN-Acetylneuraminic barium salt
Database identifiers
- CAS
114767-11-2- PubChem CID
- 3087482
Properties
Computed structural properties
- Topological polar surface area
- 359 Ų
- Hydrogen bond donors
- 12
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 10
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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