6-methoxy-3-[5-methoxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-oxidanyl-5-sulfooxy-oxane-2-carboxylic acid

Systemtic Name: 6-methoxy-3-[5-methoxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-oxidanyl-5-sulfooxy-oxane-2-carboxylic acid Openeye Name: 4-hydroxy-6-methoxy-3-[5-methoxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 4-hydroxy-6-methoxy-3-[[5-methoxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-5-sulfooxy-2-oxanecarboxylic acid IUPAC Name: 4-hydroxy-6-methoxy-3-[5-methoxy-3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-5-sulfooxyoxane-2-carboxylic acid Traditional Name: 4-hydroxy-6-methoxy-3-[5-methoxy-3-(sulfoamino)-4-sulfoxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid Formula: C14H25NO23S4 MolecularWeight: 703.6012

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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

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

InChI

InChI=1S/C14H25NO23S4/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)