methyl (2R,3S,4S,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-acetyloxy-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-5-acetyloxy-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-methoxycarbonyl-4-phenylmethoxy-oxan-3-yl]oxy-5-azido-2-(phenylcarbonyloxymethyl)-4-phenylmethoxy-oxan-3-yl]oxy-4-phenylmethoxy-oxane-2-carboxylate

Systemtic Name: methyl (2R,3S,4S,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-acetyloxy-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-5-acetyloxy-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-methoxycarbonyl-4-phenylmethoxy-oxan-3-yl]oxy-5-azido-2-(phenylcarbonyloxymethyl)-4-phenylmethoxy-oxan-3-yl]oxy-4-phenylmethoxy-oxane-2-carboxylate Openeye Name: methyl (2R,3S,4S,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-8-benzyloxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-acetoxy-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-5-acetoxy-4-benzyloxy-6-[dimethyl(1,1,2-trimethylpropyl)silyl]oxy-2-methoxycarbonyl-tetrahydropyran-3-yl]oxy-5-azido-2-(benzoyloxymethyl)-4-benzyloxy-tetrahydropyran-3-yl]oxy-4-benzyloxy-tetrahydropyran-2-carboxylate CAS Name: (2R,3S,4S,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-acetyloxy-6-[[(2R,3S,4R,5R,6R)-6-[[(2R,3S,4S,5R,6R)-5-acetyloxy-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-methoxycarbonyl-4-phenylmethoxy-3-oxanyl]oxy]-5-azido-2-(benzoyloxymethyl)-4-phenylmethoxy-3-oxanyl]oxy]-4-phenylmethoxy-2-oxanecarboxylic acid methyl ester IUPAC Name: methyl (2R,3S,4S,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-acetyloxy-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-5-acetyloxy-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2-methoxycarbonyl-4-phenylmethoxyoxan-3-yl]oxy-5-azido-2-(benzoyloxymethyl)-4-phenylmethoxyoxan-3-yl]oxy-4-phenylmethoxyoxane-2-carboxylate Traditional Name: (2R,3S,4S,5R,6R)-3-[[(2R,4aR,6R,7R,8R,8aS)-7-azido-8-benzoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-5-acetoxy-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-5-acetoxy-4-benzoxy-2-carbomethoxy-6-[dimethyl(thexyl)silyl]oxy-tetrahydropyran-3-yl]oxy-5-azido-4-benzoxy-2-(benzoyloxymethyl)tetrahydropyran-3-yl]oxy-4-benzoxy-tetrahydropyran-2-carboxylic acid methyl ester Formula: C80H94N6O24Si MolecularWeight: 1551.71366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C)[Si](C)(C)OC1C(C(C(C(O1)C(=O)OC)OC2C(C(C(C(O2)COC(=O)C3=CC=CC=C3)OC4C(C(C(C(O4)C(=O)OC)OC5C(C(C6C(O5)COC(O6)C7=CC=CC=C7)OCC8=CC=CC=C8)N=[N+]=[N-])OCC9=CC=CC=C9)OC(=O)C)OCC1=CC=CC=C1)N=[N+]=[N-])OCC1=CC=CC=C1)OC(=O)C

Isomeric SMILES

CC(C)C(C)(C)[Si](C)(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)OC)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)C(=O)OC)O[C@@H]5[C@@H]([C@H]([C@H]6[C@H](O5)CO[C@H](O6)C7=CC=CC=C7)OCC8=CC=CC=C8)N=[N+]=[N-])OCC9=CC=CC=C9)OC(=O)C)OCC1=CC=CC=C1)N=[N+]=[N-])OCC1=CC=CC=C1)OC(=O)C

InChI

InChI=1S/C80H94N6O24Si/c1-47(2)80(5,6)111(9,10)110-79-71(101-49(4)88)65(97-44-53-35-23-14-24-36-53)67(69(109-79)74(91)93-8)107-76-59(84-86-82)63(95-42-51-31-19-12-20-32-51)61(56(102-76)45-98-72(89)54-37-25-15-26-38-54)105-78-70(100-48(3)87)64(96-43-52-33-21-13-22-34-52)66(68(108-78)73(90)92-7)106-77-58(83-85-81)62(94-41-50-29-17-11-18-30-50)60-57(103-77)46-99-75(104-60)55-39-27-16-28-40-55/h11-40,47,56-71,75-79H,41-46H2,1-10H3/t56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68-,69-,70-,71-,75-,76-,77-,78-,79-/m1/s1