2-[[6-(hydroxymethyl)-4-[[6-methyl-3,5-bis(oxidanyl)-4-sulfooxy-oxan-2-yl]methoxymethyl]-2,5-bis(oxidanyl)oxan-3-yl]methoxymethyl]-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylic acid

Systemtic Name: 2-[[6-(hydroxymethyl)-4-[[6-methyl-3,5-bis(oxidanyl)-4-sulfooxy-oxan-2-yl]methoxymethyl]-2,5-bis(oxidanyl)oxan-3-yl]methoxymethyl]-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylic acid Openeye Name: 2-[[4-[(3,5-dihydroxy-6-methyl-4-sulfooxy-tetrahydropyran-2-yl)methoxymethyl]-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]methoxymethyl]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid CAS Name: 2-[[4-[(3,5-dihydroxy-6-methyl-4-sulfooxy-2-oxanyl)methoxymethyl]-2,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]methoxymethyl]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid IUPAC Name: 2-[[4-[(3,5-dihydroxy-6-methyl-4-sulfooxyoxan-2-yl)methoxymethyl]-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methoxymethyl]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Traditional Name: 2-[[4-[(3,5-dihydroxy-6-methyl-4-sulfoxy-tetrahydropyran-2-yl)methoxymethyl]-2,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]methoxymethyl]-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid Formula: C22H36O18S MolecularWeight: 620.57544

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)COCC2C(C(OC(C2O)CO)O)COCC3C(C(C=C(O3)C(=O)O)O)O)O)OS(=O)(=O)O)O

Isomeric SMILES

CC1C(C(C(C(O1)COCC2C(C(OC(C2O)CO)O)COCC3C(C(C=C(O3)C(=O)O)O)O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C22H36O18S/c1-8-16(25)20(40-41(32,33)34)19(28)15(37-8)7-35-4-9-10(22(31)39-13(3-23)17(9)26)5-36-6-14-18(27)11(24)2-12(38-14)21(29)30/h2,8-11,13-20,22-28,31H,3-7H2,1H3,(H,29,30)(H,32,33,34)