Chemical Compound

J3.131.046F

J3.131.046F chemical structure
Primary Record

J3.131.046F

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
177470538
SMILES
CC(=O)OC[C@H]([C@H]([C@H]1[C@@H]([C@H](C[C@@](O1)(C(=O)OC)O[C@H]2[C@@H]3[C@@H](CO[C@@H](O3)C4=CC=CC=C4)O[C@H]([C@@H]2OC(=O)C5=CC=CC=C5)O[C@@H]6[C@H]([C@@H](O[C@H]7[C@@H]6O[C@H](OC7)C8=CC=CC=C8)O[C@H]9[C@H](O[C@H]([C@@H]([C@H]9OCC1=CC=CC=C1)OCC1=CC=CC=C1)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1OCC1=CC=CC=C1)OCC1=CC=CC=C1)OCCCN=[N+]=[N-])COCC1=CC=CC=C1)COCC1=CC=CC=C1)NC(=O)OCC(Cl)(Cl)Cl)OC(=O)C)NC(=O)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C
Canonical SMILES
COC(=O)[C@@]1(O[C@H]2[C@H]3O[C@@H](c4ccccc4)OC[C@H]3O[C@@H](O[C@@H]3[C@@H](NC(=O)OCC(Cl)(Cl)Cl)[C@H](O[C@@H]4[C@H](OCc5ccccc5)[C@@H](OCc5ccccc5)[C@H](O[C@H]5[C@H](OCc6ccccc6)[C@@H](OCc6ccccc6)[C@H](OCCCN=[N+]=[N-])O[C@@H]5COCc5ccccc5)O[C@@H]4COCc4ccccc4)O[C@@H]4CO[C@H](c5ccccc5)O[C@H]34)[C@@H]2OC(=O)c2ccccc2)C[C@H](OC(C)=O)[C@@H](NC(=O)C(Cl)(Cl)Cl)[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1

Names & Synonyms

  • J3.131.046F
  • 3-Azidopropyl 2-O,3-O,6-O-tribenzyl-4-O-[2-O,3-O,6-O-tribenzyl-4-O-[2-[(2,2,2-trichloroethoxycarbonyl)amino]-3-O-[2-O-benzoyl-3-O-[N-(trichloroacetyl)-4-O,7-O,8-O,9-O-tetraacetyl-1-methoxy-1-deoxy-alpha-neuraminosyl]-4-O,6-O-[(S)-benzylidene]-beta-D-galactopyranosyl]-4-O,6-O-[(S)-benzylidene]-2-deoxy-beta-D-galactopyranosyl]-beta-D-galactopyranosyl]-beta-D-glucopyranoside
  • methyl (2S,4S,5R,6R)-2-{[(2S,4aR,6R,7R,8S,8aS)-6-{[(2S,4aR,6S,7R,8R,8aR)-6-{[(2R,3S,4S,5R,6S)-6-{[(2R,3R,4S,5R,6R)-6-(3-azidopropoxy)-4,5-bis(benzyloxy)-2-[(benzyloxy)methyl]oxan-3-yl]oxy}-4,5-bis(benzyloxy)-2-[(benzyloxy)methyl]oxan-3-yl]oxy}-2-phenyl-7-{[(2,2,2-trichloroethoxy)carbonyl]amino}-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}-7-(benzoyloxy)-2-phenyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-8-yl]oxy}-4-(acetyloxy)-5-(2,2,2-trichloroacetamido)-6-[(1S,2R)-1,2,3-tris(acetyloxy)propyl]oxane-2-carboxylate