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Magnesium D-gluconate hydrate

CAT: 0862-GC8065-25gSize: 25 gDry Ice: NoHazardous: No
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CAT#:0862-GC8065-25gSize:25 g
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CAS Number
3632-91-5
EC Number
222-848-2
MDL Number
MFCD00150971
HS Code
29181600
Purity
98.00%
Molecular Formula
C12H22MgO14 · xH2O
Molecular Weight
414.60 (anhydrous)
Storage Conditions
+20°C
Hazardous Class
Not hazardous

Chemical Information

Magnesium gluconate anhydrous

See also: Magnesium Gluconate (annotation moved to).

CAS Number3632-91-5
PubChem CID11418570
IUPAC Namemagnesium bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate)
Molecular FormulaC12H22MgO14
Molecular Weight414.60
Topological Polar Surface Area283
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity165
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.[Mg+2]
InChI
InChI=1S/2C6H12O7.Mg/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
CTUVIUYTHWPELF-IYEMJOQQSA-L
Chemical Structure
2D Structure
2D structure of Magnesium gluconate anhydrous
CAS: 3632-91-5
CID: 11418570
Formula: C12H22MgO14
MW: 414.60
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.60
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count8
Exact Mass414.0859971
Monoisotopic Mass414.0859971
Topological Polar Surface Area283 Ų
Heavy Atom Count27
Formal Charge0
Complexity165
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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