2-[4,6-bis(oxidanyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid; sodium

Systemtic Name: 2-[4,6-bis(oxidanyl)-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid; sodium Openeye Name: 2-[4,6-dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-4-hydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid; sodium CAS Name: 2-[[4,6-dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-4-hydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid; sodium IUPAC Name: 2-[4,6-dihydroxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-hydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid; sodium Traditional Name: 2-[4,6-dihydroxy-5-(sulfoamino)-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-4-hydroxy-3-sulfoxy-3,4-dihydro-2H-pyran-6-carboxylic acid; sodium Formula: C12H19NNaO19S3 MolecularWeight: 600.45933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(C(C1O)OS(=O)(=O)O)OC2C(OC(C(C2O)NS(=O)(=O)O)O)COS(=O)(=O)O)C(=O)O.[Na]

Isomeric SMILES

C1=C(OC(C(C1O)OS(=O)(=O)O)OC2C(OC(C(C2O)NS(=O)(=O)O)O)COS(=O)(=O)O)C(=O)O.[Na]

InChI

InChI=1S/C12H19NO19S3.Na/c14-3-1-4(10(16)17)30-12(8(3)32-35(25,26)27)31-9-5(2-28-34(22,23)24)29-11(18)6(7(9)15)13-33(19,20)21;/h1,3,5-9,11-15,18H,2H2,(H,16,17)(H,19,20,21)(H,22,23,24)(H,25,26,27);