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Trimagnesium dicitrate nonahydrate

CAT: 0013-GTR19236521-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236521-01Size:50 mg
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Description
Trimagnesium dicitrate nonahydrate is an orally bioavailable magnesium source used in nutritional research. It serves as a stabilizer and anti-caking agent in solid supplement formulations. This compound is utilized in studies investigating magnesium metabolism, deficiency models, and excipient functionality in both in vivo and in vitro experimental settings.
CAS Number
153531-96-5
Smiles
O=C (CC (C ([O-]) =O) (CC ([O-]) =O) O) [O-].O=C (CC (C ([O-]) =O) (CC ([O-]) =O) O) [O-].[Mg+2].O.[Mg+2].[Mg+2].O.O.O.O.O.O.O.O
Molecular Formula
C12H28Mg3O23
Molecular Weight
613.25
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Magnesium citrate nonahydrate
CAS Number153531-96-5
PubChem CID53249332
IUPAC Nametrimagnesium;bis(2-hydroxypropane-1,2,3-tricarboxylate);nonahydrate
Molecular FormulaC12H28Mg3O23
Molecular Weight613.25
Topological Polar Surface Area290
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count23
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity211
SMILES
C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.O.O.O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2]
InChI
InChI=1S/2C6H8O7.3Mg.9H2O/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;;;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;9*1H2/q;;3*+2;;;;;;;;;/p-6
InChIKey
IYQJAGXFXWIEJE-UHFFFAOYSA-H
Chemical Structure
2D Structure
2D structure of Magnesium citrate nonahydrate
CAS: 153531-96-5
CID: 53249332
Formula: C12H28Mg3O23
MW: 613.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight613.25
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count23
Rotatable Bond Count4
Exact Mass612.0572622
Monoisotopic Mass612.0572622
Topological Polar Surface Area290 Ų
Heavy Atom Count38
Formal Charge0
Complexity211
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count14
Compound Is CanonicalizedYes

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