nonasodium 3-[3-acetamido-4-[5-[3-acetamido-4-methoxy-6-[(4-oxidanidyl-4-oxidanylidene-butanoyl)oxymethyl]-5-sulfonatooxy-oxan-2-yl]oxy-6-carboxylato-3,4-bis[(4-oxidanidyl-4-oxidanylidene-butanoyl)oxy]oxan-2-yl]oxy-6-[(4-oxidanidyl-4-oxidanylidene-butanoyl)oxymethyl]-5-sulfonatooxy-oxan-2-yl]oxy-6-methyl-5-(4-oxidanidyl-4-oxidanylidene-butanoyl)oxy-4-oxidanyl-oxane-2-carboxylate

Systemtic Name: nonasodium 3-[3-acetamido-4-[5-[3-acetamido-4-methoxy-6-[(4-oxidanidyl-4-oxidanylidene-butanoyl)oxymethyl]-5-sulfonatooxy-oxan-2-yl]oxy-6-carboxylato-3,4-bis[(4-oxidanidyl-4-oxidanylidene-butanoyl)oxy]oxan-2-yl]oxy-6-[(4-oxidanidyl-4-oxidanylidene-butanoyl)oxymethyl]-5-sulfonatooxy-oxan-2-yl]oxy-6-methyl-5-(4-oxidanidyl-4-oxidanylidene-butanoyl)oxy-4-oxidanyl-oxane-2-carboxylate Openeye Name: nonasodium 3-[3-acetamido-4-[5-[3-acetamido-4-methoxy-6-[(4-oxido-4-oxo-butanoyl)oxymethyl]-5-sulfonatooxy-tetrahydropyran-2-yl]oxy-6-carboxylato-3,4-bis[(4-oxido-4-oxo-butanoyl)oxy]tetrahydropyran-2-yl]oxy-6-[(4-oxido-4-oxo-butanoyl)oxymethyl]-5-sulfonatooxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methyl-5-(4-oxido-4-oxo-butanoyl)oxy-tetrahydropyran-2-carboxylate CAS Name: nonasodium 3-[[3-acetamido-4-[[5-[[3-acetamido-4-methoxy-6-[(4-oxido-1,4-dioxobutoxy)methyl]-5-sulfonatooxy-2-oxanyl]oxy]-6-carboxylato-3,4-bis(4-oxido-1,4-dioxobutoxy)-2-oxanyl]oxy]-6-[(4-oxido-1,4-dioxobutoxy)methyl]-5-sulfonatooxy-2-oxanyl]oxy]-4-hydroxy-6-methyl-5-(4-oxido-1,4-dioxobutoxy)-2-oxanecarboxylate IUPAC Name: nonasodium 3-[3-acetamido-4-[5-[3-acetamido-4-methoxy-6-[(4-oxido-4-oxobutanoyl)oxymethyl]-5-sulfonatooxyoxan-2-yl]oxy-6-carboxylato-3,4-bis[(4-oxido-4-oxobutanoyl)oxy]oxan-2-yl]oxy-6-[(4-oxido-4-oxobutanoyl)oxymethyl]-5-sulfonatooxyoxan-2-yl]oxy-4-hydroxy-6-methyl-5-(4-oxido-4-oxobutanoyl)oxyoxane-2-carboxylate Traditional Name: nonasodium 3-[3-acetamido-4-[5-[3-acetamido-6-[(4-keto-4-oxido-butanoyl)oxymethyl]-4-methoxy-5-sulfato-tetrahydropyran-2-yl]oxy-6-carboxylato-3,4-bis[(4-keto-4-oxido-butanoyl)oxy]tetrahydropyran-2-yl]oxy-6-[(4-keto-4-oxido-butanoyl)oxymethyl]-5-sulfato-tetrahydropyran-2-yl]oxy-4-hydroxy-5-(4-keto-4-oxido-butanoyl)oxy-6-methyl-tetrahydropyran-2-carboxylate Formula: C50H59N2Na9O43S2 MolecularWeight: 1647.02899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)C(=O)[O-])OC2C(C(C(C(O2)COC(=O)CCC(=O)[O-])OS(=O)(=O)[O-])OC3C(C(C(C(O3)C(=O)[O-])OC4C(C(C(C(O4)COC(=O)CCC(=O)[O-])OS(=O)(=O)[O-])OC)NC(=O)C)OC(=O)CCC(=O)[O-])OC(=O)CCC(=O)[O-])NC(=O)C)O)OC(=O)CCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1C(C(C(C(O1)C(=O)[O-])OC2C(C(C(C(O2)COC(=O)CCC(=O)[O-])OS(=O)(=O)[O-])OC3C(C(C(C(O3)C(=O)[O-])OC4C(C(C(C(O4)COC(=O)CCC(=O)[O-])OS(=O)(=O)[O-])OC)NC(=O)C)OC(=O)CCC(=O)[O-])OC(=O)CCC(=O)[O-])NC(=O)C)O)OC(=O)CCC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C50H68N2O43S2.9Na/c1-17-35(87-29(67)12-7-24(59)60)34(70)40(43(84-17)46(71)72)91-49-33(52-19(3)54)39(37(95-97(78,79)80)21(86-49)16-83-28(66)11-6-23(57)58)90-50-45(89-31(69)14-9-26(63)64)42(88-30(68)13-8-25(61)62)41(44(93-50)47(73)74)92-48-32(51-18(2)53)38(81-4)36(94-96(75,76)77)20(85-48)15-82-27(65)10-5-22(55)56;;;;;;;;;/h17,20-21,32-45,48-50,70H,5-16H2,1-4H3,(H,51,53)(H,52,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,71,72)(H,73,74)(H,75,76,77)(H,78,79,80);;;;;;;;;/q;9*+1/p-9