(2R,4aR,6S,7S,8R,8aS)-7-azido-6-[(2R,3R,4S,5R,6S)-6-methylsulfanyl-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Systemtic Name: (2R,4aR,6S,7S,8R,8aS)-7-azido-6-[(2R,3R,4S,5R,6S)-6-methylsulfanyl-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine Openeye Name: (2R,4aR,6S,7S,8R,8aS)-7-azido-8-benzyloxy-6-[(2R,3R,4S,5R,6S)-4,5-dibenzyloxy-2-(benzyloxymethyl)-6-methylsulfanyl-tetrahydropyran-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine CAS Name: (2R,4aR,6S,7S,8R,8aS)-7-azido-6-[[(2R,3R,4S,5R,6S)-6-(methylthio)-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-3-oxanyl]oxy]-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin IUPAC Name: (2R,4aR,6S,7S,8R,8aS)-7-azido-6-[(2R,3R,4S,5R,6S)-6-methylsulfanyl-4,5-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxan-3-yl]oxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine Traditional Name: (2R,4aR,6S,7S,8R,8aS)-7-azido-8-benzoxy-6-[(2R,3R,4S,5R,6S)-4,5-dibenzoxy-2-(benzoxymethyl)-6-(methylthio)tetrahydropyran-3-yl]oxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin Formula: C48H51N3O9S MolecularWeight: 845.99824

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Descriptors Computed from Structure

Canonical SMILES:

CSC1C(C(C(C(O1)COCC2=CC=CC=C2)OC3C(C(C4C(O3)COC(O4)C5=CC=CC=C5)OCC6=CC=CC=C6)N=[N+]=[N-])OCC7=CC=CC=C7)OCC8=CC=CC=C8

Isomeric SMILES

CS[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC=C2)O[C@H]3[C@H]([C@H]([C@H]4[C@H](O3)CO[C@H](O4)C5=CC=CC=C5)OCC6=CC=CC=C6)N=[N+]=[N-])OCC7=CC=CC=C7)OCC8=CC=CC=C8

InChI

InChI=1S/C48H51N3O9S/c1-61-48-45(55-30-36-23-13-5-14-24-36)44(54-29-35-21-11-4-12-22-35)42(38(58-48)31-52-27-33-17-7-2-8-18-33)60-47-40(50-51-49)43(53-28-34-19-9-3-10-20-34)41-39(57-47)32-56-46(59-41)37-25-15-6-16-26-37/h2-26,38-48H,27-32H2,1H3/t38-,39-,40+,41-,42-,43-,44+,45-,46-,47+,48+/m1/s1