2-[(2R,3R,4R,5S,6R)-2-azido-5-[(2S,3R,4R,5S,6R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2R,3R,4R,5S,6R)-2-azido-5-[(2S,3R,4R,5S,6R)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-oxidanyl-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione Openeye Name: 2-[(2R,3R,4R,5S,6R)-2-azido-4-benzyloxy-5-[(2S,3R,4R,5S,6R)-4-benzyloxy-6-(benzyloxymethyl)-3-(1,3-dioxoisoindolin-2-yl)-5-hydroxy-tetrahydropyran-2-yl]oxy-6-(benzyloxymethyl)tetrahydropyran-3-yl]isoindoline-1,3-dione CAS Name: 2-[(2R,3R,4R,5S,6R)-2-azido-5-[[(2S,3R,4R,5S,6R)-3-(1,3-dioxo-2-isoindolyl)-5-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)-2-oxanyl]oxy]-4-phenylmethoxy-6-(phenylmethoxymethyl)-3-oxanyl]isoindole-1,3-dione IUPAC Name: 2-[(2R,3R,4R,5S,6R)-2-azido-5-[(2S,3R,4R,5S,6R)-3-(1,3-dioxoisoindol-2-yl)-5-hydroxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-2-yl]oxy-4-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-yl]isoindole-1,3-dione Traditional Name: 2-[(2R,3R,4R,5S,6R)-2-azido-4-benzoxy-5-[(2S,3R,4R,5S,6R)-4-benzoxy-6-(benzoxymethyl)-5-hydroxy-3-phthalimido-tetrahydropyran-2-yl]oxy-6-(benzoxymethyl)tetrahydropyran-3-yl]isoindoline-1,3-quinone Formula: C56H51N5O12 MolecularWeight: 986.03044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C(C(C(C(O2)OC3C(OC(C(C3OCC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)N=[N+]=[N-])COCC7=CC=CC=C7)N8C(=O)C9=CC=CC=C9C8=O)OCC1=CC=CC=C1)O

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3OCC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O)N=[N+]=[N-])COCC7=CC=CC=C7)N8C(=O)C9=CC=CC=C9C8=O)OCC1=CC=CC=C1)O

InChI

InChI=1S/C56H51N5O12/c57-59-58-51-45(60-52(63)39-25-13-14-26-40(39)53(60)64)50(70-32-38-23-11-4-12-24-38)48(44(71-51)34-68-30-36-19-7-2-8-20-36)73-56-46(61-54(65)41-27-15-16-28-42(41)55(61)66)49(69-31-37-21-9-3-10-22-37)47(62)43(72-56)33-67-29-35-17-5-1-6-18-35/h1-28,43-51,56,62H,29-34H2/t43-,44-,45-,46-,47-,48-,49-,50-,51-,56+/m1/s1