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Magnesium gluconate(CAS No. 3632-91-5)

Magnesium gluconate C12H22MgO14 (cas 3632-91-5) Molecular Structure

3632-91-5 Structure

Identification and Related Records

【Name】
Magnesium gluconate
【CAS Registry number】
3632-91-5
【Synonyms】
Gluconicacid, magnesium salt (2:1), D- (8CI)
Magnesium gluconate (7CI)
Almora
GYN
Glucomag
Glucosium
Menesia
Magnesium Gluconate USP/FCC
【EINECS(EC#)】
222-848-2
【Molecular Formula】
C12H22MgO14 (Products with the same molecular formula)
【Molecular Weight】
414.6
【Inchi】
InChI=1/C6H12O7.Mg/c7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-5,7-11H,1H2,(H,12,13);/q;+2/p-1
【Canonical SMILES】
C(C(C(C(C(C(=O)O)O)O)O)O)O
【Isomers smiles】
C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O
【MOL File】
3632-91-5.mol

Chemical and Physical Properties

【Appearance】
white crystalline powder
【Density】
1.763g/cm3
【Melting Point】
131 DEG C
【Boiling Point】
673.6 oC at 760 mmHg
【Flash Point】
375.2 oC
【Solubilities】
FREELY SOL IN WATER; SLIGHTLY SOL IN ALC, INSOLUBLE IN ETHER AND MOST OTHER ORGANIC SOLVENTS
【Color/Form】
NEEDLES FROM ETHANOL & ETHER
CRYSTALS
【Spectral properties】
SPECIFIC OPTICAL ROTATION: -3.49 TO +12.95 DEG @ 25 DEG C/D (WATER); MUTAROTATORY; SADTLER REFERENCE NUMBER: 8335 (IR, PRISM)
SPECIFIC OPTICAL ROTATION: -6.7 DEG @ 20 DEG C/D (CONCN= 1 G/100 ML WATER)
IR: 21802 (Sadtler Research Laboratories IR Grating Collection)
NMR: 11270 (Sadtler Research Laboratories Spectral Collection)
【Computed Properties】
Molecular Weight:196.15528 [g/mol]
Molecular Formula:C6H12O7
XLogP3-AA:-3.4
H-Bond Donor:6
H-Bond Acceptor:7
Rotatable Bond Count:5
Exact Mass:196.058303
MonoIsotopic Mass:196.058303
Topological Polar Surface Area:138
Heavy Atom Count:13
Formal Charge:0
Complexity:170
Isotope Atom Count:0
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:7
Feature 3D Donor Count:5
Feature 3D Anion Count:1
Effective Rotor Count:5
Conformer Sampling RMSD:0.6
CID Conformer Count:28

Safety and Handling

【Safety Statements 】
22
【Safety】

Safety Statements: 22?
S22:Do not breathe dust.
WGK Germany: 3
RTECS: OM3480000

【Formulations/Preparations】
BECAUSE OF DIFFICULTIES OF PREPARING SOLID CRYSTAL PRODUCT, GLUCONIC ACID OF COMMERCE IS 50% AQ SOLN...
GRADES: TECHNICAL, 50% SOLN.
【Specification】

?Magnesium gluconate (CAS NO.3632-91-5), its Synonyms are Magnesium gluconate anhydrous ; Almora ; D-Gluconic acid, magnesium salt (2:1) ; GYN ; Glucomag ; Gluconic acid, magnesium salt (2:1), D- ; Glucosium ; Magnesium D-gluconate (1:2) .

【Disposal Methods】
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Use and Manufacturing

【Use and Manufacturing】
Methods of Manufacturing

MAY BE PREPARED FROM GLUCOSE BY ELECTROLYTIC OXIDN IN ALKALINE MEDIUM; BY CHEM OXIDN WITH HYPOBROMITES
BY HYDROLYSIS OF ALPHA-D-GLUCOSE WITH BROMINE PLUS H2SO4; BY GAMMA-IRRADIATION OF D-GLUCOSE;
AT PRESENT PRODUCED IN COMMERCIAL QUANTITIES BY FERMENTATIVE OXIDN OF ALDEHYDE GROUP IN GLUCOSE FROM CORN USING ASPERGILLUS NIGER, ASPERGILLUS FUMARICUS, ACETOBACTER ACETI, PENICILLIUM CHRYSOGENUM, & OTHER PENICILLIA.
CANNIZZARO REACTION ON GLUCOSE UNDER ALKALINE CONDITIONS FORMS SORBITOL AND GLUCONIC ACID
GLUCOSE IS REMOVED FROM LIQUID EGG WHITE, BEFORE DRYING /AND/ OXIDIZED TO GLUCONIC ACID USING A GLUCOSE-OXIDASE-CATALASE ENZYME SYSTEM. IN THIS METHOD, OXYGEN IS SUPPLIED BY THE ADDITION OF HYDROGEN PEROXIDE
DIRECT OXIDATION OF GLUCOSE IN THE PRESENCE OF A PALLADIUM CATALYST RESULTS IN THE FORMATION OF GLUCONIC ACID. THE DIRECT OXIDATION OF GLUCOSE TO GLUCONIC ACID BY OXYGEN ALSO TAKES PLACE IN THE PRESENCE OF THE ENZYME GLUCOSE OXIDASE.
U.S. Imports

(1984) 5.44X10+7 g

Biomedical Effects and Toxicity

【Biomedical Effects and Toxicity】
(99)TCM-LABELED GLUCONATE WAS ACCUMULATED RELATIVELY EARLY IN THE KIDNEY, AND ESP IN THE URINARY TRACT.

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