Chem
J-GLOBAL ID:200907074977139949   Nikkaji number:J2.651.670F

N-Acetyl-2-O-[2-[(2-pyridyl)dithio]-3-butenyl]-α-neuraminic acid methyl ester

N-アセチル-2-O-[2-[(2-ピリジル)ジチオ]-3-ブテニル]-α-ノイラミン酸メチル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C21H30N2O9S2
Molecular formula furigana: C21-H30-N2-O9-S2
Molecular weight: 518.600
InChI: InChI=1S/C21H30N2O9S2/c1-4-13(33-34-16-7-5-6-8-22-16)11-31-21(20(29)30-3)9-14(26)17(23-12(2)25)19(32-21)18(28)15(27)10-24/h4-8,13-15,17-19,24,26-28H,1,9-11H2,2-3H3,(H,23,25)/t13?,14-,15+,17+,18+,19+,21+/m0/s1
InChI key: FPRNDLALWGCZOD-VISCTQOFSA-N
SMILES: COC(=O)[C@]1(C[C@H](O)[C@@H](NC(=O)C)[C@@H](O1)[C@H](O)[C@H](O)CO)OCC(SSc1ccccn1)C=C
Systematic name  (3):
  • N-アセチル-2-O-[2-[(2-ピリジル)ジチオ]-3-ブテニル]-α-ノイラミン酸メチル
  • メチル (2R,4S,5R,6R)-5-アセトアミド-4-ヒドロキシ-2-{[2-(ピリジン-2-イルジスルファニル)ブタ-3-エン-1-イル]オキシ}-6-[(1R,2R)-1,2,3-トリヒドロキシプロピル]オキサン-2-カルボキシラート
  • methyl (2R,4S,5R,6R)-5-acetamido-4-hydroxy-2-{[2-(pyridin-2-yldisulfanyl)but-3-en-1-yl]oxy}-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Other name (1):
  • N-Acetyl-2-O-[2-[(2-pyridyl)dithio]-3-butenyl]-α-neuraminic acid methyl ester
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