GlyTouCan:G52187WF
Grundinformationen
- CAS
172906-79-5- Standard-SMILES
CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O- InChIKey
WKFVZBWZSZMEFW-CVVDBDTASA-N- Summenformel
- C82H136N8O56
- Durchschnittliche Molmasse
- 2.130 g/mol
Überblick
N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,5-bis[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxyoxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide is an amino sugar.
Namen und Bezeichner
- Bevorzugter Name
- GlyTouCan:G52187WF
- IUPAC
- N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4R,5R,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,5-bis[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-hydroxyoxan-2-yl]oxymethyl]-4-[(2R,3S,4S,5S,6R)-3,5-bis[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- Englischer Name
- O-2-(Acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-O-[O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-2)-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)]-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-6)]-alpha-D-mannopyranosyl-(1-6)]-O-[O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-2)-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)]-alpha-D-mannopyranosyl-(1-3)]-O-beta-D-mannopyranosyl-(1-4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1-4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
- Summenformel
- C82H136N8O56
- Molmasse
- 2129.99
Namen und Synonyme
RefChem:995605GlyTouCan:G52187WFG52187WFCHEMBL1222112CHEBI:151616GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[GlcNAc(b1-2)[GlcNAc(b1-4)][GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcWURCS=2.0/3,11,10/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-1-2-3-1-1-1-3-1-1-1/a4-b1_b4-c1_c3-d1_c4-g1_c6-h1_d2-e1_d4-f1_h2-i1_h4-j1_h6-k1β-D-Glucopyranose, O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)]-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→6)]-α-D-mannopyranosyl-(1→6)]-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyrano...
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -21,3
- Polarare Oberfläche (TPSA)
- 973 Ų
- H-Brücken-Donoren
- 35
- H-Brücken-Akzeptoren
- 56
- Frei drehbare Bindungen
- 39
- Schwere Atome
- 146
- Formalladung
- 0
- Komplexität
- 4.190
Physikochemische Eigenschaften
- Dichte
- 1.7 · 1.70±0.1 g/cm3(Predicted)
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
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