N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine
Grundinformationen
- CAS
948295-15-6- Standard-SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO[C@@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)O[C@@H]1O- InChIKey
CZOGCRVBCLRHQJ-NAFGUXDZSA-N- Summenformel
- C19H32N2O14
- Durchschnittliche Molmasse
- 512,5 g/mol
- Monoisotopische Masse
- 512,1853537
Überblick
N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine is an amino disaccharide composed of N-acetylneuraminic acid and N-acetyl-alpha-D-galactosamine residues linked (26). It has a role as an epitope. It is an amino disaccharide and a galactosamine oligosaccharide.
Namen und Bezeichner
- Bevorzugter Name
- N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine
- IUPAC
- (2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- Englischer Name
- 2-acetaMido-2-deoxy-6-O-Sialyl-D-galactopyranoside (Sia--2,6-GalNAc)
- Summenformel
- C19H32N2O14
- Molmasse
- 512.47
Namen und Synonyme
CHEBI:71557N-acetyl-beta-neuraminyl-(2->6)-N-acetyl-alpha-D-galactosamineGlyTouCan:G08244HVRefChem:1048433G08244HV(5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-nonulopyranosylonic acid)-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranose;5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranoseNeu5Acbeta2-6GalNAcalphabeta-N-acetylneuraminyl-(2->6)-N-acetyl-alpha-D-galactosamine(5-acetamido-3,5-dideoxy-D-glycero-beta-D-galacto-nonulopyranosylonic acid)-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranose5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-2-acetamido-2-deoxy-alpha-D-galactopyranoseNeu5Acb2-6GalNAcaEpitope ID:423178
Weitere Namen anzeigen
2-acetaMido-2-deoxy-6-O-Sialyl-D-galactopyranoside (Sia--2,6-GalNAc)α-D-Galactopyranose, 2-(acetylamino)-6-O-(N-acetyl-β-neuraminosyl)-2-deoxy-(2S,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R,6S)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -5,6
- Polarare Oberfläche (TPSA)
- 265 Ų
- H-Brücken-Donoren
- 10
- H-Brücken-Akzeptoren
- 14
- Frei drehbare Bindungen
- 9
- Schwere Atome
- 35
- Formalladung
- 0
- Komplexität
- 770
Physikochemische Eigenschaften
- Siedepunkt
- 1045.5 · 1045.5±65.0 °C(Predicted)
- Dichte
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 2.01 · 2.01±0.70(Predicted)
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