alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-OMe
Grundinformationen
- CAS
176106-81-3- Standard-SMILES
CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1NC(C)=O- InChIKey
RWKWUCRJWBOBDY-PQEMEVISSA-N- Summenformel
- C21H37NO15
- Durchschnittliche Molmasse
- 543,5 g/mol
Überblick
Alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-OMe is a methyl glycoside that is alpha-L-Fucp-(13)-[beta-D-Galp-(14)]-beta-D-GlcpNAc (Lex) in which the hydroxy group at the reducing-end anomeric centre is methylated. It is a methyl glycoside and a trisaccharide derivative. It is functionally related to an alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc.
Namen und Bezeichner
- Bevorzugter Name
- alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-OMe
- IUPAC
- N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-methoxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]acetamide
- Englischer Name
- Lewis X Trisaccharide, Methyl Glycoside
- Summenformel
- C21H37NO15
- Molmasse
- 543.515
Namen und Synonyme
alpha-L-Fucp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-OMeN-((2R,3R,4R,5S,6R)-6-(Hydroxymethyl)-2-methoxy-5-(((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-4-(((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)acetamideLewis X trisaccharide methyl glycosideLe(x)OMe1uz8orb2941520CHEBI:77188TSW-00511Lewis x trisaccharide,methyl glycosideHY-W698344Q27146748beta-D-Gal-(1->4)-[alpha-L-Fuc-(1->3)]-beta-D-GlcNAc-OMe
Weitere Namen anzeigen
Gal1-b-4[Fuc1-α-3] GlcNAc1-b-O-MeLewisXtrisaccharidemethylglucosideMethyl 2-AcetaMido-2-deoxy-3-O-(α-L-fucopyranosyl)-4-O-(b-D- galactopyranosyl)-b-D-glucopyranosideβ-D-Glucopyranoside, methyl O-6-deoxy-α-L-galactopyranosyl-(1→3)-O-[β-D-galactopyranosyl-(1→4)]-2-(acetylamino)-2-deoxy-Methyl 2-Acetamido-2-deoxy-3-O-(α-L-fucopyranosyl)-4-O-(b-D- galactopyranosyl)-β-D-glucopyranoside, Gal1-β-4[Fuc1-α-3] GlcNAc1-β-O-Me
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -5,3
- Polarare Oberfläche (TPSA)
- 246 Ų
- H-Brücken-Donoren
- 9
- H-Brücken-Akzeptoren
- 15
- Frei drehbare Bindungen
- 8
- Schwere Atome
- 37
- Formalladung
- 0
- Komplexität
- 747
Physikochemische Eigenschaften
- Schmelzpunkt
- 174 · 174-176°C
- Siedepunkt
- 853.8 · 853.8±65.0 °C(Predicted)
- Dichte
- 1.57 · 1.57±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- Löslichkeit
- Methanol (Slightly), Water (Slightly)
- Aggregatzustand
- Solid
- pka
- 12.89 · 12.89±0.70(Predicted)
- Farbe
- White to Pale Yellow
Chemie und Industrie
Anwendungen
VerwendenLewis X and related compounds bind to the selectins and act as anti-inflammatory agents.
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