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56378-72-4 molecular structure
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tetramagnesium(2+) ion magnesiumdiol pentahydrate tetracarbonate

ChemBase ID: 133963
Molecular Formular: C4H12Mg5O19
Molecular Mass: 485.65168
Monoisotopic Mass: 483.92248666
SMILES and InChIs

SMILES:
C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].C(=O)([O-])[O-].O.O.O.O.O.O[Mg]O.[Mg+2].[Mg+2].[Mg+2].[Mg+2]
Canonical SMILES:
[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-].O[Mg]O.O.O.O.O.O.[Mg+2].[Mg+2].[Mg+2].[Mg+2]
InChI:
InChI=1S/4CH2O3.5Mg.7H2O/c4*2-1(3)4;;;;;;;;;;;;/h4*(H2,2,3,4);;;;;;7*1H2/q;;;;5*+2;;;;;;;/p-10
InChIKey:
SXKPPTNZIUYFJR-UHFFFAOYSA-D

Cite this record

CBID:133963 http://www.chembase.cn/molecule-133963.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tetramagnesium(2+) ion magnesiumdiol pentahydrate tetracarbonate
IUPAC Traditional name
tetramagnesium(2+) ion magnesiumdiol pentahydrate tetracarbonate
Synonyms
Magnesium carbonate hydroxide pentahydrate
碱式碳酸镁 五水合物
CAS Number
56378-72-4
EC Number
235-192-7
MDL Number
MFCD07371358
PubChem SID
24897035
162228240
24870415
PubChem CID
16211618

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16211618 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.0525417  H Acceptors
H Donor LogD (pH = 5.5) 0.142811 
LogD (pH = 7.4) -1.1138874  Log P 0.25005138 
Molar Refractivity 31.1724 cm3 Polarizability 3.6386902 Å3
Polar Surface Area 63.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
powder expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
99.99% trace metals basis expand Show data source
Impurities
≤0.005% Phosphorus (P) expand Show data source
≤0.1% Insoluble matter expand Show data source
Cation Traces
Al: ≤0.01% expand Show data source
Ca: ≤0.5% expand Show data source
Cu: ≤0.0005% expand Show data source
Fe: ≤0.02% expand Show data source
K: ≤0.005% expand Show data source
Na: ≤0.03% expand Show data source
NH4+: ≤0.05% expand Show data source
Pb: ≤0.001% expand Show data source
Zn: ≤0.0005% expand Show data source
Antion Traces
chloride (Cl-): ≤0.1% expand Show data source
sulfate (SO42-): ≤0.05% expand Show data source
Linear Formula
(MgCO3)4 · Mg(OH)2 · 5H2O expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 467480 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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