8-methoxycarbonyloctyl 2-acetamido-2-deoxy-4-O-(alpha-L-fucopyranosyl)-3-O-(beta-D-galactopyranosyl)-beta-D-glucopyranoside
Grundinformationen
- CAS
56343-02-3- Standard-SMILES
COC(=O)CCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O- InChIKey
RAWIMSUPKCBBKH-JAXMHQHXSA-N- Summenformel
- C30H53NO17
- Durchschnittliche Molmasse
- 699,7 g/mol
- Monoisotopische Masse
- 699,33134922
Überblick
Methyl 8-{[beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl]oxy}nonanoate is a beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminide and a glucosamine oligosaccharide.
Namen und Bezeichner
- Bevorzugter Name
- 8-methoxycarbonyloctyl 2-acetamido-2-deoxy-4-O-(alpha-L-fucopyranosyl)-3-O-(beta-D-galactopyranosyl)-beta-D-glucopyranoside
- IUPAC
- methyl 9-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxynonanoate
- Englischer Name
- 8-Methoxycarbonyloctyl 2-acetamido-2-deoxy-4-(a-L-fucopyranosyl)-3-O-(b-D-galactopyranosyl)-b-D-glucopyranoside
- Summenformel
- C30H53NO17
- Molmasse
- 699.74
Namen und Synonyme
8-methoxycarbonyloctyl 2-acetamido-2-deoxy-4-O-(alpha-L-fucopyranosyl)-3-O-(beta-D-galactopyranosyl)-beta-D-glucopyranosideSCHEMBL11433166CHEBI:145977RAWIMSUPKCBBKH-JAXMHQHXSA-Nmethyl 8-{[beta-D-galactosyl-(1->3)-[alpha-L-fucosyl-(1->4)]-N-acetyl-beta-D-glucosaminyl]oxy}nonanoatemethyl 9-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxynonanoate8-Methoxycarbonyloctyl 2-acetamido-2-deoxy-4-(a-L-fucopyranosyl)-3-O-(b-D-galactopyranosyl)-b-D-glucopyranosideNonanoic acid, 9-[[O-6-deoxy-α-L-galactopyranosyl-(1→4)-O-[β-D-galactopyranosyl-(1→3)]-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-, methyl ester9-[[O-6-Deoxy-alpha-L-galactopyranosyl-(1-4)-O-[beta-D-galactopyranosyl-(1-3)]-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy]nonanoic acid methyl ester
Datenbank-Bezeichner
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -2,8
- Polarare Oberfläche (TPSA)
- 273 Ų
- H-Brücken-Donoren
- 9
- H-Brücken-Akzeptoren
- 17
- Frei drehbare Bindungen
- 18
- Schwere Atome
- 48
- Formalladung
- 0
- Komplexität
- 978
Physikochemische Eigenschaften
- Siedepunkt
- 908.8 · 908.8±65.0 °C(Predicted)
- Dichte
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 12.89 · 12.89±0.70(Predicted)
Chemie und Industrie
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