4-oxidanyl-3-[3-(sulfonatoamino)-4-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-sulfonatooxy-oxane-2-carboxylate

Systemtic Name: 4-oxidanyl-3-[3-(sulfonatoamino)-4-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-sulfonatooxy-oxane-2-carboxylate Openeye Name: 4-hydroxy-3-[3-(sulfonatoamino)-4-sulfonatooxy-6-(sulfonatooxymethyl)tetrahydropyran-2-yl]oxy-5-sulfonatooxy-tetrahydropyran-2-carboxylate CAS Name: 4-hydroxy-3-[[3-(sulfonatoamino)-4-sulfonatooxy-6-(sulfonatooxymethyl)-2-oxanyl]oxy]-5-sulfonatooxy-2-oxanecarboxylate IUPAC Name: 4-hydroxy-3-[3-(sulfonatoamino)-4-sulfonatooxy-6-(sulfonatooxymethyl)oxan-2-yl]oxy-5-sulfonatooxyoxane-2-carboxylate Traditional Name: 4-hydroxy-5-sulfato-3-[4-sulfato-6-(sulfatomethyl)-3-(sulfonatoamino)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-carboxylate Formula: C12H16NO21S4-5 MolecularWeight: 638.50954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(C(C1OS(=O)(=O)[O-])NS(=O)(=O)[O-])OC2C(C(COC2C(=O)[O-])OS(=O)(=O)[O-])O)COS(=O)(=O)[O-]

Isomeric SMILES

C1C(OC(C(C1OS(=O)(=O)[O-])NS(=O)(=O)[O-])OC2C(C(COC2C(=O)[O-])OS(=O)(=O)[O-])O)COS(=O)(=O)[O-]

InChI

InChI=1S/C12H21NO21S4/c14-8-6(34-38(26,27)28)3-29-10(11(15)16)9(8)32-12-7(13-35(17,18)19)5(33-37(23,24)25)1-4(31-12)2-30-36(20,21)22/h4-10,12-14H,1-3H2,(H,15,16)(H,17,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)/p-5