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Trimagnesium Dicitrate

CAT: 0127-IN11919-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0127-IN11919-01Size:100 g
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CAS Number
3344-18-1
Synonyms
Trimagnesium;2-hydroxypropane-1,2,3-tricarboxylate
Purity
98%
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.[Mg+2].[Mg+2].[Mg+2]

Chemical Information

Trimagnesium dicitrate

Trimagnesium dicitrate is a magnesium salt composed of magnesium and citrate ions in a 3:2 ratio. It has a role as a laxative. It contains a citrate(3-).

CAS Number3344-18-1
PubChem CID6099959
IUPAC Nametrimagnesium bis(2-hydroxypropane-1,2,3-tricarboxylate)
Molecular FormulaC12H10Mg3O14
Molecular Weight451.12
Topological Polar Surface Area281
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Heavy Atom Count29
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.[Mg+2].[Mg+2].[Mg+2]
InChI
InChI=1S/2C6H8O7.3Mg/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);;;/q;;3*+2/p-6
InChIKey
PLSARIKBYIPYPF-UHFFFAOYSA-H
Chemical Structure
2D Structure
2D structure of Trimagnesium dicitrate
CAS: 3344-18-1
CID: 6099959
Formula: C12H10Mg3O14
MW: 451.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.12
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Exact Mass449.9621801
Monoisotopic Mass449.9621801
Topological Polar Surface Area281 Ų
Heavy Atom Count29
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 Count5
Compound Is CanonicalizedYes

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