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

Systemtic Name: 6-methoxy-4-oxidanyl-3-[[3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-5-sulfooxy-oxane-2-carboxylic acid Openeye Name: 4-hydroxy-6-methoxy-3-[[3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-5-sulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 4-hydroxy-6-methoxy-3-[[3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-5-sulfooxy-2-oxanecarboxylic acid IUPAC Name: 4-hydroxy-6-methoxy-3-[[3-(sulfoamino)-4-sulfooxy-6-(sulfooxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-5-sulfooxyoxane-2-carboxylic acid Traditional Name: 4-hydroxy-6-methoxy-3-[[3-(sulfoamino)-4-sulfoxy-6-(sulfoxymethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-5-sulfoxy-tetrahydropyran-2-carboxylic acid Formula: C13H21NO22S4 MolecularWeight: 671.55934

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)C(=O)O)OC2C(C(C=C(O2)COS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O

Isomeric SMILES

COC1C(C(C(C(O1)C(=O)O)OC2C(C(C=C(O2)COS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O

InChI

InChI=1S/C13H21NO22S4/c1-30-13-9(36-40(27,28)29)7(15)8(10(34-13)11(16)17)33-12-6(14-37(18,19)20)5(35-39(24,25)26)2-4(32-12)3-31-38(21,22)23/h2,5-10,12-15H,3H2,1H3,(H,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)(H,27,28,29)