Octyl 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-beta-D-glucopyranoside
Grundinformationen
- CAS
1268248-67-4- Standard-SMILES
CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O- InChIKey
MFYBEBGCQUYASP-DSGSWEBPSA-N- Summenformel
- C28H51NO16
- Durchschnittliche Molmasse
- 657,7 g/mol
- Monoisotopische Masse
- 657,32078454
Namen und Bezeichner
- Bevorzugter Name
- Octyl 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-beta-D-glucopyranoside
- IUPAC
- N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- Englischer Name
- Octyl O-2-(acetylaMino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-α-D-Mannopyranosyl-(1→2)-D-Glucopyranoside
- Summenformel
- C28H51NO16
- Molmasse
- 657.7
Namen und Synonyme
1268248-67-4N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-octoxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamideOctyl 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)-beta-D-glucopyranosideDTXSID30858218OO16826GlcNAc(b1-2)Man(a1-2)Glc-O-oct ylOctyl O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-2-O-alpha-D-mannopyranosyl-2-D-GlucopyranosideOCTYL 2-ACETAMIDO-2-DEOXY-B-D-GLUCOPYRANOSYL-(1-2)-A-D-MANNOPYRANOSYL-(1-2)-B-D-GLUCOPYRANOSIDEOctyl O-2-(acetylamino)-2-deoxy-b-D-glucopyranosyl-(1?2)-O-a-D-mannopyranosyl-(1?2)-D-glucopyranosideGlcNAc(β1-2)Man(α1-2)Glc-O-octylOctyl O-2-(acetylaMino)-2-deoxy-β-D-glucopyranosyl-2-O-α-D-Mannopyranosyl-2-D-GlucopyranosideOctyl O-2-(acetylaMino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-α-D-Mannopyranosyl-(1→2)-D-Glucopyranoside
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Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,8
- Polarare Oberfläche (TPSA)
- 267 Ų
- H-Brücken-Donoren
- 10
- H-Brücken-Akzeptoren
- 16
- Frei drehbare Bindungen
- 16
- Schwere Atome
- 45
- Formalladung
- 0
- Komplexität
- 872
Physikochemische Eigenschaften
- Siedepunkt
- 937.7 · 937.7±65.0 °C(Predicted)
- Dichte
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.70(Predicted)
Chemie und Industrie
Anwendungen
VerwendenOctyl O-2-(acetylaMino)-2-deoxy-β-D-glucopyranosyl-2-O-α-D-Mannopyranosyl-2-D-Glucopyranoside is a trisaccharide substrate used in the study of substrate specificities and catalytic properties of the sister N-acetylglucosaminyltransferases, GnT-V and GnT-Vb.
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