Molecular Weight (g/mol)

430.37

Molecular Formula

C12H22CaO14

InChI

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

InChIKey

NEEHYRZPVYRGPP-IYEMJOQQSA-L

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.[Ca+2]

IUPAC Name

calcium;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

Exact Mass (Da)

430.0635462

Monoisotopic Mass (Da)

430.0635462