[(3aS,4R,6S,7R,7aR)-6-[(2R,3S,4R,5R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-oxidanyl-2-(phenylcarbonyloxymethyl)oxan-3-yl]oxy-2,2-dimethyl-7-oxidanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl benzoate

Systemtic Name: [(3aS,4R,6S,7R,7aR)-6-[(2R,3S,4R,5R,6S)-5-azido-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-oxidanyl-2-(phenylcarbonyloxymethyl)oxan-3-yl]oxy-2,2-dimethyl-7-oxidanyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl benzoate Openeye Name: [(3aS,4R,6S,7R,7aR)-6-[(2R,3S,4R,5R,6S)-5-azido-2-(benzoyloxymethyl)-6-[dimethyl(1,1,2-trimethylpropyl)silyl]oxy-4-hydroxy-tetrahydropyran-3-yl]oxy-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl benzoate CAS Name: benzoic acid [(3aS,4R,6S,7R,7aR)-6-[[(2R,3S,4R,5R,6S)-5-azido-2-(benzoyloxymethyl)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-hydroxy-3-oxanyl]oxy]-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl ester IUPAC Name: [(3aS,4R,6S,7R,7aR)-6-[(2R,3S,4R,5R,6S)-5-azido-2-(benzoyloxymethyl)-6-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-4-hydroxyoxan-3-yl]oxy-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl benzoate Traditional Name: benzoic acid [(3aS,4R,6S,7R,7aR)-6-[(2R,3S,4R,5R,6S)-5-azido-2-(benzoyloxymethyl)-6-[dimethyl(thexyl)silyl]oxy-4-hydroxy-tetrahydropyran-3-yl]oxy-7-hydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-4-yl]methyl ester Formula: C37H51N3O12Si MolecularWeight: 757.89924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C)[Si](C)(C)OC1C(C(C(C(O1)COC(=O)C2=CC=CC=C2)OC3C(C4C(C(O3)COC(=O)C5=CC=CC=C5)OC(O4)(C)C)O)O)N=[N+]=[N-]

Isomeric SMILES

CC(C)C(C)(C)[Si](C)(C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C2=CC=CC=C2)O[C@H]3[C@@H]([C@@H]4[C@H]([C@H](O3)COC(=O)C5=CC=CC=C5)OC(O4)(C)C)O)O)N=[N+]=[N-]

InChI

InChI=1S/C37H51N3O12Si/c1-21(2)36(3,4)53(7,8)52-34-26(39-40-38)27(41)29(24(47-34)19-45-32(43)22-15-11-9-12-16-22)49-35-28(42)31-30(50-37(5,6)51-31)25(48-35)20-46-33(44)23-17-13-10-14-18-23/h9-18,21,24-31,34-35,41-42H,19-20H2,1-8H3/t24-,25-,26-,27-,28-,29-,30+,31-,34+,35+/m1/s1