magnesium (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate hydrate

Systemtic Name: magnesium (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoate hydrate Openeye Name: magnesium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate hydrate CAS Name: magnesium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate hydrate IUPAC Name: magnesium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate hydrate Traditional Name: magnesium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate hydrate Formula: C12H24MgO15 MolecularWeight: 432.61496

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Descriptors Computed from Structure

Canonical SMILES:

C(C(C(C(C(C(=O)[O-])O)O)O)O)O.C(C(C(C(C(C(=O)[O-])O)O)O)O)O.O.[Mg+2]

Isomeric SMILES

C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C(=O)[O-])O)O)O)O)O.O.[Mg+2]

InChI

InChI=1S/2C6H12O7.Mg.H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2*2-5,7-11H,1H2,(H,12,13);;1H2/q;;+2;/p-2/t2*2-,3-,4+,5-;;/m11../s1