O-6-Deoxy-2-O-methyl-alpha-L-galactopyranosyl-(1a6)-O-[O-2-deoxy-2-[[(11Z)-1-oxo-11-octadecen-1-yl]amino]-beta-D-glucopyranosyl-(1a4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1a4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1a4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1a4)]-2-(acetylamino)-2-deoxy-D-glucose

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Grundinformationen

CAS: 163181-92-8
Standard-SMILES: CCCCCC/C=C\CCCCCCCCCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]([C@H](O)[C@H](C=O)NC(C)=O)[C@H](O)CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5OC)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIKey: YYQPUKRAJITEOB-UJYFIWNUSA-N
Summenformel: C63H109N5O30
Durchschnittliche Molmasse: 1.416,6 g/mol
Monoisotopische Masse: 1.415,71573708

Namen und Bezeichner

Bevorzugter Name: O-6-Deoxy-2-O-methyl-alpha-L-galactopyranosyl-(1a6)-O-[O-2-deoxy-2-[[(11Z)-1-oxo-11-octadecen-1-yl]amino]-beta-D-glucopyranosyl-(1a4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1a4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1a4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1a4)]-2-(acetylamino)-2-deoxy-D-glucose
IUPAC: (Z)-N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1-[(2R,3S,4R,5S,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]oxy-2,4-dihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]octadec-11-enamide

Namen und Synonyme

DTXSID901334920163181-92-86-Deoxy-2-O-methyl-alpha-L-galactopyranosyl-(1->6)-[2-deoxy-2-{[(11Z)-octadec-11-enoyl]amino}-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucoseO-6-Deoxy-2-O-methyl-alpha-L-galactopyranosyl-(1a6)-O-[O-2-deoxy-2-[[(11Z)-1-oxo-11-octadecen-1-yl]amino]-beta-D-glucopyranosyl-(1a4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1a4)-O-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1a4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1a4)]-2-(acetylamino)-2-deoxy-D-glucose

Datenbank-Bezeichner

CAS: 163181-92-8
PubChem CID: 165359835
DTXSID: DTXSID901334920

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -4,5
Polarare Oberfläche (TPSA): 527 Å²
H-Brücken-Donoren: 18
H-Brücken-Akzeptoren: 30
Frei drehbare Bindungen: 40
Schwere Atome: 98
Formalladung: 0
Komplexität: 2.430

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