sodium [(3R)-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methyl hydrogen sulfate

Systemtic Name: sodium [(3R)-3,6-bis(oxidanyl)-4,5-disulfooxy-oxan-2-yl]methyl hydrogen sulfate Openeye Name: sodium [(3R)-3,6-dihydroxy-4,5-disulfooxy-tetrahydropyran-2-yl]methyl hydrogen sulfate CAS Name: sodium sulfuric acid [(3R)-3,6-dihydroxy-4,5-disulfooxy-2-oxanyl]methyl ester IUPAC Name: sodium [(3R)-3,6-dihydroxy-4,5-disulfooxyoxan-2-yl]methyl hydrogen sulfate Traditional Name: sodium sulfuric acid [(3R)-3,6-dihydroxy-4,5-disulfoxy-tetrahydropyran-2-yl]methyl ester Formula: C6H12NaO15S3+ MolecularWeight: 443.33525

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Descriptors Computed from Structure

Canonical SMILES:

C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O.[Na+]

Isomeric SMILES

C(C1[C@H](C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)OS(=O)(=O)O.[Na+]

InChI

InChI=1S/C6H12O15S3.Na/c7-3-2(1-18-22(9,10)11)19-6(8)5(21-24(15,16)17)4(3)20-23(12,13)14;/h2-8H,1H2,(H,9,10,11)(H,12,13,14)(H,15,16,17);/q;+1/t2?,3-,4?,5?,6?;/m1./s1