2-[[5-acetamido-2-(hydroxymethyl)-3,6,6-trimethyl-4-oxidanyl-oxan-3-yl]methoxymethyl]-2-methyl-4-oxidanyl-3-sulfonatooxy-3,4-dihydropyran-6-carboxylate

Systemtic Name: 2-[[5-acetamido-2-(hydroxymethyl)-3,6,6-trimethyl-4-oxidanyl-oxan-3-yl]methoxymethyl]-2-methyl-4-oxidanyl-3-sulfonatooxy-3,4-dihydropyran-6-carboxylate Openeye Name: 2-[[5-acetamido-4-hydroxy-2-(hydroxymethyl)-3,6,6-trimethyl-tetrahydropyran-3-yl]methoxymethyl]-4-hydroxy-2-methyl-3-sulfonatooxy-3,4-dihydropyran-6-carboxylate CAS Name: 2-[[5-acetamido-4-hydroxy-2-(hydroxymethyl)-3,6,6-trimethyl-3-oxanyl]methoxymethyl]-4-hydroxy-2-methyl-3-sulfonatooxy-3,4-dihydropyran-6-carboxylate IUPAC Name: 2-[[5-acetamido-4-hydroxy-2-(hydroxymethyl)-3,6,6-trimethyloxan-3-yl]methoxymethyl]-4-hydroxy-2-methyl-3-sulfonatooxy-3,4-dihydropyran-6-carboxylate Traditional Name: 2-[(5-acetamido-4-hydroxy-3,6,6-trimethyl-2-methylol-tetrahydropyran-3-yl)methoxymethyl]-4-hydroxy-2-methyl-3-sulfato-3,4-dihydropyran-6-carboxylate Formula: C20H31NO13S-2 MolecularWeight: 525.52404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1(C)C)CO)(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)CO)(C)COCC2(C(C(C=C(O2)C(=O)[O-])O)OS(=O)(=O)[O-])C)O

InChI

InChI=1S/C20H33NO13S/c1-10(23)21-14-15(25)19(4,13(7-22)33-18(14,2)3)8-31-9-20(5)16(34-35(28,29)30)11(24)6-12(32-20)17(26)27/h6,11,13-16,22,24-25H,7-9H2,1-5H3,(H,21,23)(H,26,27)(H,28,29,30)/p-2