[(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]azanium sulfate

Systemtic Name: [(2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)-1-oxidanylidene-hexan-2-yl]azanium sulfate Openeye Name: [(1R,2S,3R,4R)-1-formyl-1,2,3,4,5-pentahydroxy-pentyl]ammonium sulfate CAS Name: [(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]ammonium sulfate IUPAC Name: [(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-oxohexan-2-yl]azanium sulfate Traditional Name: [(1R,2S,3R,4R)-1-formyl-1,2,3,4,5-pentahydroxy-pentyl]ammonium sulfate Formula: C12H28N2O16S MolecularWeight: 488.41952

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(C=O)([NH3+])O)O)O)O)O.C(C(C(C(C(C=O)([NH3+])O)O)O)O)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C([C@H]([C@H]([C@@H]([C@@](C=O)([NH3+])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@@](C=O)([NH3+])O)O)O)O)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C6H13NO6.H2O4S/c2*7-6(13,2-9)5(12)4(11)3(10)1-8;1-5(2,3)4/h2*2-5,8,10-13H,1,7H2;(H2,1,2,3,4)/t2*3-,4-,5+,6+;/m11./s1