iron; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid; hydrate

Systemtic Name: iron; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid; hydrate Openeye Name: iron; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; hydrate CAS Name: iron; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; hydrate IUPAC Name: iron; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; hydrate Traditional Name: iron; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid; hydrate Formula: C12H26FeO15 MolecularWeight: 466.17084

Click to see the large picture

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.[Fe]

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.[Fe]

InChI

InChI=1S/2C6H12O7.Fe.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/t2*2-,3-,4+,5-;;/m11../s1