6-[6-methoxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trimethyl-oxane-2-carboxylic acid

Systemtic Name: 6-[6-methoxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trimethyl-oxane-2-carboxylic acid Openeye Name: 6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trimethyl-tetrahydropyran-2-carboxylic acid CAS Name: 6-[[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-3,4,5-trimethyl-2-oxanecarboxylic acid IUPAC Name: 6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3,4,5-trimethyloxane-2-carboxylic acid Traditional Name: 6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-3,4,5-trimethyl-tetrahydropyran-2-carboxylic acid Formula: C16H29NO14S2 MolecularWeight: 523.52976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(OC(C1C)OC2C(OC(C(C2O)NS(=O)(=O)O)OC)COS(=O)(=O)O)C(=O)O)C

Isomeric SMILES

CC1C(C(OC(C1C)OC2C(OC(C(C2O)NS(=O)(=O)O)OC)COS(=O)(=O)O)C(=O)O)C

InChI

InChI=1S/C16H29NO14S2/c1-6-7(2)12(14(19)20)30-15(8(6)3)31-13-9(5-28-33(24,25)26)29-16(27-4)10(11(13)18)17-32(21,22)23/h6-13,15-18H,5H2,1-4H3,(H,19,20)(H,21,22,23)(H,24,25,26)