[(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetyloxy-2-(5-azidopentoxy)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]oxy-4,5-bis[(4-methylphenyl)carbonyloxy]-2-(4-oxidanylidenepentanoyloxymethyl)oxan-3-yl] 4-methylbenzoate

Systemtic Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetyloxy-2-(5-azidopentoxy)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]oxan-4-yl]oxy-4,5-bis[(4-methylphenyl)carbonyloxy]-2-(4-oxidanylidenepentanoyloxymethyl)oxan-3-yl] 4-methylbenzoate Openeye Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetoxy-2-(5-azidopentoxy)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(1,3-dioxoisoindolin-2-yl)tetrahydropyran-4-yl]oxy-4,5-bis[(4-methylbenzoyl)oxy]-2-(4-oxopentanoyloxymethyl)tetrahydropyran-3-yl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2R,3R,4S,5R,6R)-6-[[(2R,3R,4R,5R,6R)-5-acetyloxy-2-(5-azidopentoxy)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(1,3-dioxo-2-isoindolyl)-4-oxanyl]oxy]-2-(1,4-dioxopentoxymethyl)-4,5-bis[(4-methylphenyl)-oxomethoxy]-3-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetyloxy-2-(5-azidopentoxy)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-(1,3-dioxoisoindol-2-yl)oxan-4-yl]oxy-4,5-bis[(4-methylbenzoyl)oxy]-2-(4-oxopentanoyloxymethyl)oxan-3-yl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2R,3R,4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-5-acetoxy-2-(5-azidopentoxy)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-phthalimido-tetrahydropyran-4-yl]oxy-2-(4-ketopentanoyloxymethyl)-4,5-bis(p-toluoyloxy)tetrahydropyran-3-yl] ester Formula: C72H78N4O18Si MolecularWeight: 1315.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2C(OC(C(C2OC(=O)C3=CC=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C)OC5C(C(OC(C5OC(=O)C)CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)OCCCCCN=[N+]=[N-])N8C(=O)C9=CC=CC=C9C8=O)COC(=O)CCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C3=CC=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C)O[C@@H]5[C@H]([C@@H](O[C@@H]([C@@H]5OC(=O)C)CO[Si](C6=CC=CC=C6)(C7=CC=CC=C7)C(C)(C)C)OCCCCCN=[N+]=[N-])N8C(=O)C9=CC=CC=C9C8=O)COC(=O)CCC(=O)C

InChI

InChI=1S/C72H78N4O18Si/c1-44-26-33-49(34-27-44)67(82)91-61-56(42-86-58(79)39-32-47(4)77)90-71(64(93-69(84)51-37-30-46(3)31-38-51)63(61)92-68(83)50-35-28-45(2)29-36-50)94-62-59(76-65(80)54-24-16-17-25-55(54)66(76)81)70(85-41-19-11-18-40-74-75-73)89-57(60(62)88-48(5)78)43-87-95(72(6,7)8,52-20-12-9-13-21-52)53-22-14-10-15-23-53/h9-10,12-17,20-31,33-38,56-57,59-64,70-71H,11,18-19,32,39-43H2,1-8H3/t56-,57-,59-,60+,61-,62-,63+,64-,70-,71+/m1/s1