Chemical Compound

J1.819.555K

J1.819.555K chemical structure
Primary Record

J1.819.555K

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177518124
SMILES
CC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)SCC#CC#CCS[C@@]2(C[C@@H]([C@H]([C@@H](O2)[C@@H]([C@@H](COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C
Canonical SMILES
COC(=O)[C@@]1(SCC#CC#CCS[C@]2(C(=O)OC)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O2)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1

Names & Synonyms

  • J1.819.555K
  • 2,2 -[2,4-Hexadiyne-1,6-diylbis(thio)]bis(4-O,7-O,8-O,9-O,N-pentaacetyl-2-deoxy-alpha-neuraminic acid methyl) ester
  • methyl (2S,4S,5R,6R)-4-(acetyloxy)-2-[(6-{[(2S,4S,5R,6R)-4-(acetyloxy)-5-acetamido-2-(methoxycarbonyl)-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxan-2-yl]sulfanyl}hexa-2,4-diyn-1-yl)sulfanyl]-5-acetamido-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate