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

Systemtic Name: 3-methoxy-6-[6-methoxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylate Openeye Name: 4,5-dihydroxy-3-methoxy-6-[6-methoxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-carboxylate CAS Name: 4,5-dihydroxy-3-methoxy-6-[[6-methoxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)-3-oxanyl]oxy]-2-oxanecarboxylate IUPAC Name: 4,5-dihydroxy-3-methoxy-6-[6-methoxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxyoxane-2-carboxylate Traditional Name: 4,5-dihydroxy-3-methoxy-6-[6-methoxy-4-sulfato-2-(sulfatomethyl)-5-(sulfonatoamino)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-carboxylate Formula: C14H21NO20S3-4 MolecularWeight: 619.50624

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(OC1C(=O)[O-])OC2C(OC(C(C2OS(=O)(=O)[O-])NS(=O)(=O)[O-])OC)COS(=O)(=O)[O-])O)O

Isomeric SMILES

COC1C(C(C(OC1C(=O)[O-])OC2C(OC(C(C2OS(=O)(=O)[O-])NS(=O)(=O)[O-])OC)COS(=O)(=O)[O-])O)O

InChI

InChI=1S/C14H25NO20S3/c1-29-10-6(16)7(17)14(34-11(10)12(18)19)33-8-4(3-31-37(23,24)25)32-13(30-2)5(15-36(20,21)22)9(8)35-38(26,27)28/h4-11,13-17H,3H2,1-2H3,(H,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)/p-4