alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-(beta-D-Glcp-(1->4))-beta-D-Galp
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Grundinformationen
- CAS
84280-27-3- Standard-SMILES
CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@]2(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)[C@H]1O- InChIKey
RRADLHBODXTHJM-WNYZNUDOSA-N- Summenformel
- C37H62N2O29
- Durchschnittliche Molmasse
- 998,9 g/mol
- Monoisotopische Masse
- 998,34382394
Überblick
Alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-[beta-D-Glcp-(1->4)]-beta-D-Galp is a amino pentasaccharide consisting of beta-D-galactose at the reducing end having a beta-D-glucosyl residue at the 4-position and an N-acetyl-alpha-neuraminyl-(23)-beta-D-galactosyl-(13)-N-acetyl-beta-D-glucosaminyl moiety at the 3-position. It is a glucosamine oligosaccharide and an amino pentasaccharide.
Namen und Bezeichner
- Bevorzugter Name
- alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-(beta-D-Glcp-(1->4))-beta-D-Galp
- IUPAC
- (2S,4S,5R,6R)-5-acetamido-2-[(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2-[(2R,3R,4R,5S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
- Englischer Name
- streptococcal polysaccharide Ib group B
- Summenformel
- C37H62N2O29
- Molmasse
- 998.89
Namen und Synonyme
CHEBI:61713alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-[beta-D-Glcp-(1->4)]-beta-D-Galp5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->4)]-beta-D-galactopyranose5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-(beta-D-glucopyranosyl-(1->4))-beta-D-galactopyranosealpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-(beta-D-Glcp-(1->4))-beta-D-GalpRefChem:936794GlyTouCan:G71722OAG71722OA5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulonosyl-(2->3)-beta-D-galactosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucosyl-(1->3)-[beta-D-glucosyl-(1->4)]-beta-D-galactosealpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-[beta-D-Glc-(1->4)]-beta-D-GalN-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosyl-(1->3)-[beta-D-glucosyl-(1->4)]-beta-D-galactoseEpitope ID:141589
Weitere Namen anzeigen
streptococcal polysaccharide Ib group Bβ-D-Galactopyranose, O-(N-acetyl-α-neuraminosyl)-(2→3)-O-β-D-galactopyranosyl-(1→3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→3)-O-[β-D-glucopyranosyl-(1→4)]- (9CI)
Q27131310
Datenbank-Bezeichner
- CAS
84280-27-3- PubChem CID
- 51351714
- ChEBI
CHEBI:61713
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- -10,4
- Polarare Oberfläche (TPSA)
- 502 Ų
- H-Brücken-Donoren
- 19
- H-Brücken-Akzeptoren
- 29
- Frei drehbare Bindungen
- 18
- Schwere Atome
- 68
- Formalladung
- 0
- Komplexität
- 1.660
Physikochemische Eigenschaften
- Siedepunkt
- 1446.6 · 1446.6±65.0 °C(Predicted)
- Dichte
- 1.77 · 1.77±0.1 g/cm3(Predicted)
- pka
- 1.92 · 1.92±0.70(Predicted)
Zugehörige Reaktionen
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