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

Systemtic Name: 3-methoxy-6-[6-methoxy-4-oxidanyl-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-4-oxidanyl-5-sulfooxy-oxane-2-carboxylic acid Openeye Name: 4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)tetrahydropyran-3-yl]oxy-3-methoxy-5-sulfooxy-tetrahydropyran-2-carboxylic acid CAS Name: 4-hydroxy-6-[[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)-3-oxanyl]oxy]-3-methoxy-5-sulfooxy-2-oxanecarboxylic acid IUPAC Name: 4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-methoxy-5-sulfooxyoxane-2-carboxylic acid Traditional Name: 4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfoxymethyl)tetrahydropyran-3-yl]oxy-3-methoxy-5-sulfoxy-tetrahydropyran-2-carboxylic acid Formula: C14H25NO20S3 MolecularWeight: 623.538

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(OC1C(=O)O)OC2C(OC(C(C2O)NS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)O

Isomeric SMILES

COC1C(C(C(OC1C(=O)O)OC2C(OC(C(C2O)NS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)O

InChI

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