Magnesium Gluconate Hydrate

Catalog:	BB056375
Product Name:	Magnesium Gluconate Hydrate
Synonyms:	Magnesium gluconate; Magnesium D-gluconate hydrate; Magnesium gluconate hydrate; magnesium (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate

Technical Data

IUPAC Name:	magnesium(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate
Description:	Magnesium gluconate hydrate may be useful in the study of methods for removing metal ions from effluents and process waters.
Molecular Weight:	414.6
Molecular Formula:	C12H22MgO14·xH2O
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.[Mg+2]
InChI:	InChI=1S/2C6H12O7.Mg/c27-1-2(8)3(9)4(10)5(11)6(12)13/h22-5,7-11H,1H2,(H,12,13)/q+2/p-2/t2*2-,3-,4+,5-/m11./s1
InChI Key:	CTUVIUYTHWPELF-IYEMJOQQSA-L
References:	Xu, Y., et al. PCT Int. Appl., 20pp. (2022).

Complexity:	385
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	8
Defined Bond Stereocenter Count:	0
Exact Mass:	414.0859971
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	14
Hydrogen Bond Donor Count:	10
Isotope Atom Count:	0
Monoisotopic Mass:	414.0859971
Rotatable Bond Count:	12
Topological Polar Surface Area:	283Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0