3-[4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfooxy-oxane-2-carboxylic acid

Systemtic Name: 3-[4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfooxy-oxane-2-carboxylic acid Openeye Name: 3-[4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)tetrahydropyran-2-yl]oxy-4-methoxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 3-[[4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)-2-oxanyl]oxy]-4-methoxy-5-sulfooxy-2-oxanecarboxylic acid IUPAC Name: 3-[4,5-dimethoxy-3-sulfooxy-6-(sulfooxymethyl)oxan-2-yl]oxy-4-methoxy-5-sulfooxyoxane-2-carboxylic acid Traditional Name: 3-[4,5-dimethoxy-3-sulfoxy-6-(sulfoxymethyl)tetrahydropyran-2-yl]oxy-4-methoxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid Formula: C15H26O20S3 MolecularWeight: 622.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(COC(C1OC2C(C(C(C(O2)COS(=O)(=O)O)OC)OC)OS(=O)(=O)O)C(=O)O)OS(=O)(=O)O

Isomeric SMILES

COC1C(COC(C1OC2C(C(C(C(O2)COS(=O)(=O)O)OC)OC)OS(=O)(=O)O)C(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C15H26O20S3/c1-27-8-6(5-31-36(18,19)20)32-15(13(10(8)29-3)35-38(24,25)26)33-11-9(28-2)7(34-37(21,22)23)4-30-12(11)14(16)17/h6-13,15H,4-5H2,1-3H3,(H,16,17)(H,18,19,20)(H,21,22,23)(H,24,25,26)