2-[[5-azanyl-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-azanyl-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-amino-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-amino-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-amino-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-amino-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: C18H31NO15S2 MolecularWeight: 565.56644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(C(O1)COS(=O)(=O)O)(C)COCC2(C(C(C=C(O2)C(=O)O)O)OS(=O)(=O)O)C)O)N)C

Isomeric SMILES

CC1(C(C(C(C(O1)COS(=O)(=O)O)(C)COCC2(C(C(C=C(O2)C(=O)O)O)OS(=O)(=O)O)C)O)N)C

InChI

InChI=1S/C18H31NO15S2/c1-16(2)12(19)13(21)17(3,11(33-16)6-31-35(24,25)26)7-30-8-18(4)14(34-36(27,28)29)9(20)5-10(32-18)15(22)23/h5,9,11-14,20-21H,6-8,19H2,1-4H3,(H,22,23)(H,24,25,26)(H,27,28,29)