alpha-D-GlcpA4Me-(1->2)-beta-D-Xylp-(1->4)-beta-D-Xylp-(1->4)-beta-D-Xylp

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Grundinformationen

Standard-SMILES: CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O[C@@H]3CO[C@@H](O[C@@H]4CO[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)OC[C@@H](O)[C@@H]2O)O[C@@H]1C(=O)O
InChIKey: DWUMRQPTCMDVJD-NPARFUQOSA-N
Summenformel: C22H36O19
Durchschnittliche Molmasse: 604,5 g/mol
Monoisotopische Masse: 604,18507893

Überblick

Alpha-D-GlcpA4Me-(1->2)-beta-D-Xylp-(1->4)-beta-D-Xylp-(1->4)-beta-D-Xylp is a tetrasaccharide derivative that consists of an 4-O-methyl-alpha-D-glucuronosyl residue attached at the 2-position of the non-reducing end of xylotriose. It is a carbohydrate acid derivative and a tetrasaccharide derivative. It is a conjugate acid of an alpha-D-GlcpA4Me-(1->2)-beta-D-Xylp-(1->4)-beta-D-Xylp-(1->4)-beta-D-Xylp(1-).

Namen und Bezeichner

Bevorzugter Name: alpha-D-GlcpA4Me-(1->2)-beta-D-Xylp-(1->4)-beta-D-Xylp-(1->4)-beta-D-Xylp
IUPAC: (2S,3S,4R,5R,6S)-6-[(2S,3R,4S,5R)-2-[(3R,4R,5R,6S)-4,5-dihydroxy-6-[(3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid

Namen und Synonyme

CHEBI:82694alpha-D-GlcpA4Me-(1->2)-beta-D-Xylp-(1->4)-beta-D-Xylp-(1->4)-beta-D-XylpRefChem:936313GlyTouCan:G75464GUG75464GU(2S,3S,4R,5R,6S)-6-((2S,3R,4S,5R)-2-((3R,4R,5R,6S)-4,5-dihydroxy-6-((3R,4R,5R,6R)-4,5,6-trihydroxyoxan-3-yl)oxyoxan-3-yl)oxy-4,5-dihydroxyoxan-3-yl)oxy-4,5-dihydroxy-3-methoxyoxane-2-carboxylic acid4-O-methyl-alpha-D-glucuronosyl-(1->2)-beta-D-xylosyl-(1->4)-beta-D-xylosyl-(1->4)-beta-D-xyloseQ271562302-O-alpha-(4-O-methyl-alpha-D-glucuronosyl)-xylotriosealpha-D-GlcA4Me-(1->2)-beta-D-Xyl-(1->4)-beta-D-Xyl-(1->4)-beta-D-Xyl4-O-methyl-alpha-D-glucopyranuronosyl-(1->2)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranosyl-(1->4)-beta-D-xylopyranose

Datenbank-Bezeichner

ChEBI: CHEBI:82694
Nikkaji: J2.029.147H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -6,9
Polarare Oberfläche (TPSA): 293 Å²
H-Brücken-Donoren: 10
H-Brücken-Akzeptoren: 19
Frei drehbare Bindungen: 8
Schwere Atome: 41
Formalladung: 0
Komplexität: 865

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