methyl (2R,3S,4S,5R,6R)-6-[[(4aR,6R,7R,8R,8aR)-7-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-(4-oxidanylidenepentanoyloxy)-5-(phenylcarbonyloxy)-4-phenylmethoxy-oxane-2-carboxylate

Systemtic Name: methyl (2R,3S,4S,5R,6R)-6-[[(4aR,6R,7R,8R,8aR)-7-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-3-(4-oxidanylidenepentanoyloxy)-5-(phenylcarbonyloxy)-4-phenylmethoxy-oxane-2-carboxylate Openeye Name: methyl (2R,3S,4S,5R,6R)-6-[[(4aR,6R,7R,8R,8aR)-7-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-benzoyloxy-4-benzyloxy-3-(4-oxopentanoyloxy)tetrahydropyran-2-carboxylate CAS Name: (2R,3S,4S,5R,6R)-6-[[(4aR,6R,7R,8R,8aR)-7-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-benzoyloxy-3-(1,4-dioxopentoxy)-4-phenylmethoxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S,4S,5R,6R)-6-[[(4aR,6R,7R,8R,8aR)-7-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-5-benzoyloxy-3-(4-oxopentanoyloxy)-4-phenylmethoxyoxane-2-carboxylate Traditional Name: (2R,3S,4S,5R,6R)-6-[[(4aR,6R,7R,8R,8aR)-7-azido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy]-4-benzoxy-5-benzoyloxy-3-(4-ketopentanoyloxy)tetrahydropyran-2-carboxylic acid methyl ester Formula: C40H43N3O14 MolecularWeight: 789.78112

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=O)OC1C(C(C(OC1C(=O)OC)OC2C(C(OC3C2OC(OC3)C4=CC=CC=C4)OC)N=[N+]=[N-])OC(=O)C5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC(=O)CCC(=O)O[C@H]1[C@@H]([C@H]([C@@H](O[C@H]1C(=O)OC)O[C@@H]2[C@H]([C@@H](O[C@H]3[C@@H]2OC(OC3)C4=CC=CC=C4)OC)N=[N+]=[N-])OC(=O)C5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C40H43N3O14/c1-23(44)19-20-28(45)53-33-32(50-21-24-13-7-4-8-14-24)35(54-36(46)25-15-9-5-10-16-25)40(57-34(33)37(47)48-2)56-31-29(42-43-41)39(49-3)52-27-22-51-38(55-30(27)31)26-17-11-6-12-18-26/h4-18,27,29-35,38-40H,19-22H2,1-3H3/t27-,29-,30+,31-,32+,33+,34-,35-,38?,39-,40-/m1/s1