Basic information
- CAS
83073-74-9- 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](CO)O[C@@H](O[C@@H]([C@H](O)[C@@H](O)CNc3ccccn3)[C@H](O)CO)[C@@H]2O)(C(=O)O)C[C@@H]1O- InChIKey
NDMJFTOMBNOPNX-MHEPVMCTSA-N- Molecular formula
- C28H45N3O18
- Average molar mass
- 711.7 g/mol
- Monoisotopic mass
- 711.26981159
Overview
fluorogenic cpd for sialidase activity determination; structure given in first source
Names & identifiers
- Preferred name
- 2-(N-3'-Sialyllactityl)aminopyridine
- IUPAC
- (2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-(pyridin-2-ylamino)hexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- English name
- 2-(N-3'-sialyllactityl)aminopyridine
- Molecular formula
- C28H45N3O18
- Molecular weight
- 711.67
Names & synonyms
2-(N-3'-Sialyllactityl)aminopyridine3-SL-AP83073-74-9DTXSID30232155D-Glucitol, O-(N-acetyl-alpha-neuraminosyl)-(2-3)-O-beta-D-galactopyranosyl-(1-4)-1-deoxy-1-(2-pyridinylamino)-RefChem:84809DTXCID30154646(2S,4S,5R,6R)-5-acetamido-2-[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5S)-1,2,4,5-tetrahydroxy-6-(pyridin-2-ylamino)hexan-3-yl]oxyoxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid5-Acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-1-deoxy-1-[(pyridin-2-yl)amino]-D-glucitolD-Glucitol, O-(N-acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→4)-1-deoxy-1-(2-pyridinylamino)- (9CI)
Database identifiers
- CAS
83073-74-9- PubChem CID
- 196239
- DTXSID
DTXSID30232155
Properties
Computed structural properties
- XLogP
- -5.5
- Topological polar surface area
- 351 Ų
- Hydrogen bond donors
- 14
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 17
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,050
Physicochemical properties
- Boiling point
- 1186.2 · 1186.2±65.0 °C(Predicted)
- Density
- 1.66 · 1.66±0.1 g/cm3(Predicted)
- pka
- 1.92 · 1.92±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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