[(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(4-chloranyl-3-nitro-phenyl)methoxy]-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate

Systemtic Name: [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(4-chloranyl-3-nitro-phenyl)methoxy]-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate Openeye Name: [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(4-chloro-3-nitro-phenyl)methoxy]-4,5-disulfooxy-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)tetrahydropyran-4-yl] hydrogen sulfate CAS Name: sulfuric acid [(2R,3R,4S,5R,6R)-2-[[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(4-chloro-3-nitrophenyl)methoxy]-4,5-disulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-4,5-disulfooxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-3,5-disulfooxy-6-(sulfooxymethyl)-4-oxanyl] ester IUPAC Name: [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-[(4-chloro-3-nitrophenyl)methoxy]-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-4,5-disulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-3,5-disulfooxy-6-(sulfooxymethyl)oxan-4-yl] hydrogen sulfate Traditional Name: sulfuric acid [(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5R,6R)-6-[(2R,3R,4S,5R,6R)-6-(4-chloro-3-nitro-benzyl)oxy-4,5-disulfoxy-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-4,5-disulfoxy-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-3,5-disulfoxy-6-(sulfoxymethyl)tetrahydropyran-4-yl] ester Formula: C25H36ClNO48S10 MolecularWeight: 1474.63424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1COC2C(C(C(C(O2)COS(=O)(=O)O)OC3C(C(C(C(O3)COS(=O)(=O)O)OC4C(C(C(C(O4)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COS(=O)(=O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C25H36ClNO48S10/c26-9-2-1-8(3-10(9)27(28)29)4-60-23-20(73-83(51,52)53)17(70-80(42,43)44)14(11(64-23)5-61-76(30,31)32)67-24-21(74-84(54,55)56)18(71-81(45,46)47)15(12(65-24)6-62-77(33,34)35)68-25-22(75-85(57,58)59)19(72-82(48,49)50)16(69-79(39,40)41)13(66-25)7-63-78(36,37)38/h1-3,11-25H,4-7H2,(H,30,31,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)/t11-,12-,13-,14-,15-,16-,17+,18+,19+,20-,21-,22-,23-,24-,25-/m1/s1