tetrasodium 6-methoxy-3-[5-methoxy-3-(sulfonatoamino)-4-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-oxidanyl-5-sulfonatooxy-oxane-2-carboxylate

Systemtic Name: tetrasodium 6-methoxy-3-[5-methoxy-3-(sulfonatoamino)-4-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4-oxidanyl-5-sulfonatooxy-oxane-2-carboxylate Openeye Name: tetrasodium 4-hydroxy-6-methoxy-3-[5-methoxy-3-(sulfonatoamino)-4-sulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-5-sulfonatooxy-tetrahydropyran-2-carboxylate CAS Name: tetrasodium 4-hydroxy-6-methoxy-3-[[5-methoxy-3-(sulfonatoamino)-4-sulfonatooxy-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-5-sulfonatooxy-2-oxanecarboxylate IUPAC Name: tetrasodium 4-hydroxy-6-methoxy-3-[5-methoxy-3-(sulfonatoamino)-4-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-sulfonatooxyoxane-2-carboxylate Traditional Name: tetrasodium 4-hydroxy-6-methoxy-3-[5-methoxy-4-sulfato-6-(sulfatomethyl)-3-(sulfonatoamino)tetrahydropyran-2-yl]oxy-5-sulfato-tetrahydropyran-2-carboxylate Formula: C14H20NNa4O23S4- MolecularWeight: 790.52058

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(OC(C(C1OS(=O)(=O)[O-])NS(=O)(=O)[O-])OC2C(C(C(OC2C(=O)[O-])OC)OS(=O)(=O)[O-])O)COS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

COC1C(OC(C(C1OS(=O)(=O)[O-])NS(=O)(=O)[O-])OC2C(C(C(OC2C(=O)[O-])OC)OS(=O)(=O)[O-])O)COS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C14H25NO23S4.4Na/c1-31-7-4(3-33-40(22,23)24)34-13(5(15-39(19,20)21)8(7)37-41(25,26)27)35-9-6(16)10(38-42(28,29)30)14(32-2)36-11(9)12(17)18;;;;/h4-11,13-16H,3H2,1-2H3,(H,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30);;;;/q;4*+1/p-5