2-[[5-acetamido-3,6,6-trimethyl-4-oxidanyl-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-2-methyl-4-oxidanyl-3-sulfooxy-3,4-dihydropyran-6-carboxylic acid

Systemtic Name: 2-[[5-acetamido-3,6,6-trimethyl-4-oxidanyl-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-2-methyl-4-oxidanyl-3-sulfooxy-3,4-dihydropyran-6-carboxylic acid Openeye Name: 2-[[5-acetamido-4-hydroxy-3,6,6-trimethyl-2-(sulfooxymethyl)tetrahydropyran-3-yl]methoxymethyl]-4-hydroxy-2-methyl-3-sulfooxy-3,4-dihydropyran-6-carboxylic acid CAS Name: 2-[[5-acetamido-4-hydroxy-3,6,6-trimethyl-2-(sulfooxymethyl)-3-oxanyl]methoxymethyl]-4-hydroxy-2-methyl-3-sulfooxy-3,4-dihydropyran-6-carboxylic acid IUPAC Name: 2-[[5-acetamido-4-hydroxy-3,6,6-trimethyl-2-(sulfooxymethyl)oxan-3-yl]methoxymethyl]-4-hydroxy-2-methyl-3-sulfooxy-3,4-dihydropyran-6-carboxylic acid Traditional Name: 2-[[5-acetamido-4-hydroxy-3,6,6-trimethyl-2-(sulfoxymethyl)tetrahydropyran-3-yl]methoxymethyl]-4-hydroxy-2-methyl-3-sulfoxy-3,4-dihydropyran-6-carboxylic acid Formula: C20H33NO16S2 MolecularWeight: 607.60312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1(C)C)COS(=O)(=O)O)(C)COCC2(C(C(C=C(O2)C(=O)O)O)OS(=O)(=O)O)C)O

Isomeric SMILES

CC(=O)NC1C(C(C(OC1(C)C)COS(=O)(=O)O)(C)COCC2(C(C(C=C(O2)C(=O)O)O)OS(=O)(=O)O)C)O

InChI

InChI=1S/C20H33NO16S2/c1-10(22)21-14-15(24)19(4,13(36-18(14,2)3)7-34-38(27,28)29)8-33-9-20(5)16(37-39(30,31)32)11(23)6-12(35-20)17(25)26/h6,11,13-16,23-24H,7-9H2,1-5H3,(H,21,22)(H,25,26)(H,27,28,29)(H,30,31,32)