6-[6-[6-[5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl]oxy-2-carboxy-4-oxidanyl-5-sulfooxy-oxan-3-yl]oxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxy-oxan-3-yl]oxy-3,4-bis(oxidanyl)-5-sulfooxy-oxane-2-carboxylic acid

Systemtic Name: 6-[6-[6-[5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl]oxy-2-carboxy-4-oxidanyl-5-sulfooxy-oxan-3-yl]oxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxy-oxan-3-yl]oxy-3,4-bis(oxidanyl)-5-sulfooxy-oxane-2-carboxylic acid Openeye Name: 6-[6-[6-[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxy-tetrahydropyran-3-yl]oxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxy-tetrahydropyran-3-yl]oxy-3,4-dihydroxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[6-[[6-[[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)-3-oxanyl]oxy]-2-carboxy-4-hydroxy-5-sulfooxy-3-oxanyl]oxy]-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxy-3-oxanyl]oxy]-3,4-dihydroxy-5-sulfooxy-2-oxanecarboxylic acid IUPAC Name: 6-[6-[6-[5-acetamido-4,6-dihydroxy-2-(sulfooxymethyl)oxan-3-yl]oxy-2-carboxy-4-hydroxy-5-sulfooxyoxan-3-yl]oxy-2-(hydroxymethyl)-5-(sulfoamino)-4-sulfooxyoxan-3-yl]oxy-3,4-dihydroxy-5-sulfooxyoxane-2-carboxylic acid Traditional Name: 6-[6-[6-[5-acetamido-4,6-dihydroxy-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-2-carboxy-4-hydroxy-5-sulfoxy-tetrahydropyran-3-yl]oxy-2-methylol-5-(sulfoamino)-4-sulfoxy-tetrahydropyran-3-yl]oxy-3,4-dihydroxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid Formula: C26H42N2O37S5 MolecularWeight: 1134.92788

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O

Isomeric SMILES

CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)