[2-[6-[4,5-dimethoxy-2-(methoxymethyl)-6-oxidanyl-oxan-3-yl]oxy-4,5-dimethoxy-2-[[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]methyl]oxan-3-yl]oxy-6-(sulfooxymethyl)-5-[6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-3-yl] hydrogen sulfate

Systemtic Name: [2-[6-[4,5-dimethoxy-2-(methoxymethyl)-6-oxidanyl-oxan-3-yl]oxy-4,5-dimethoxy-2-[[5-(2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]methyl]oxan-3-yl]oxy-6-(sulfooxymethyl)-5-[6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-3-yl] hydrogen sulfate Openeye Name: [2-[6-[6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-4,5-dimethoxy-2-[[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]methyl]tetrahydropyran-3-yl]oxy-6-(sulfooxymethyl)-5-[6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)tetrahydropyran-2-yl]oxy-4-(trioxidanylsulfanyloxy)tetrahydropyran-3-yl] hydrogen sulfate CAS Name: sulfuric acid [2-[[6-[[6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)-3-oxanyl]oxy]-4,5-dimethoxy-2-[[[1-oxo-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentyl]amino]methyl]-3-oxanyl]oxy]-6-(sulfooxymethyl)-5-[[6-(sulfooxymethyl)-3,4,5-tris[(trioxidanylthio)oxy]-2-oxanyl]oxy]-4-(trioxidanylthio)oxy-3-oxanyl] ester IUPAC Name: [2-[6-[6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)oxan-3-yl]oxy-4,5-dimethoxy-2-[[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]methyl]oxan-3-yl]oxy-6-(sulfooxymethyl)-5-[6-(sulfooxymethyl)-3,4,5-tris(trioxidanylsulfanyloxy)oxan-2-yl]oxy-4-(trioxidanylsulfanyloxy)oxan-3-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-[6-[6-hydroxy-4,5-dimethoxy-2-(methoxymethyl)tetrahydropyran-3-yl]oxy-2-[[5-(2-keto-1,3,3a,4,6,6a-hexahydrothien[3,4-d]imidazol-4-yl)pentanoylamino]methyl]-4,5-dimethoxy-tetrahydropyran-3-yl]oxy-6-(sulfoxymethyl)-5-[6-(sulfoxymethyl)-3,4,5-tris[(trioxidanylthio)oxy]tetrahydropyran-2-yl]oxy-4-(trioxidanylthio)oxy-tetrahydropyran-3-yl] ester Formula: C39H67N3O43S8 MolecularWeight: 1522.46358

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Descriptors Computed from Structure

Canonical SMILES:

COCC1C(C(C(C(O1)O)OC)OC)OC2C(C(C(C(O2)CNC(=O)CCCCC3C4C(CS3)NC(=O)N4)OC5C(C(C(C(O5)COS(=O)(=O)O)OC6C(C(C(C(O6)COS(=O)(=O)O)OSOOO)OSOOO)OSOOO)OSOOO)OS(=O)(=O)O)OC)OC

Isomeric SMILES

COCC1C(C(C(C(O1)O)OC)OC)OC2C(C(C(C(O2)CNC(=O)CCCCC3C4C(CS3)NC(=O)N4)OC5C(C(C(C(O5)COS(=O)(=O)O)OC6C(C(C(C(O6)COS(=O)(=O)O)OSOOO)OSOOO)OSOOO)OSOOO)OS(=O)(=O)O)OC)OC

InChI

InChI=1S/C39H67N3O43S8/c1-59-11-17-24(27(60-2)31(62-4)35(44)66-17)71-36-32(63-5)28(61-3)23(16(67-36)10-40-21(43)9-7-6-8-20-22-15(14-86-20)41-39(45)42-22)70-38-34(77-93(56,57)58)29(74-88-83-79-47)25(18(68-38)12-64-91(50,51)52)72-37-33(76-90-85-81-49)30(75-89-84-80-48)26(73-87-82-78-46)19(69-37)13-65-92(53,54)55/h15-20,22-38,44,46-49H,6-14H2,1-5H3,(H,40,43)(H2,41,42,45)(H,50,51,52)(H,53,54,55)(H,56,57,58)