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Showing NP-Card for Magnesium perchlorate (NP0334834)

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Record Information
Version2.0
Created at2024-09-10 22:41:46 UTC
Updated at2024-09-10 22:41:47 UTC
NP-MRD IDNP0334834
Secondary Accession NumbersNone
Natural Product Identification
Common NameMagnesium perchlorate
DescriptionMagnesium perchlorate belongs to the class of inorganic compounds known as alkaline earth metal perchlorates. These are inorganic compounds in which the largest oxoanion is perchlorate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal. In case of oral exposure, immediately dilute with 4 to 8 ounces (120 to 240 mol) of water or milk. There is no evidence that magnesium perchlorate is metabolized in the body. Administer oxygen and assist ventilation as required. Magnesium perchlorate is an extremely strong acidic compound (based on its pKa). Magnesium perchlorate is a potentially toxic compound. Magnesium perchlorate is a powerful oxidizing agent, with the formula Mg(ClO4)2.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0334834 (Magnesium perchlorate)


  Mrv0541 02241205272D          

 11  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
M  CHG  3   1   2   2  -1   7  -1
M  END
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3D MOL for NP0334834 (Magnesium perchlorate)

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3D SDF for NP0334834 (Magnesium perchlorate)

  Mrv0541 02241205272D          

 11  8  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0
    2.8286   -0.8250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8286    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.8286    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0036    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0000   -3.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250   -3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  2  0  0  0  0
M  CHG  3   1   2   2  -1   7  -1
M  END
> <DATABASE_ID>
NP0334834

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Mg++].[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/2ClHO4.Mg/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2

> <INCHI_KEY>
MPCRDALPQLDDFX-UHFFFAOYSA-L

> <FORMULA>
Cl2MgO8

> <MOLECULAR_WEIGHT>
223.206

> <EXACT_MASS>
221.882064288

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
5.233355042576066

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
magnesium(2+) ion diperchlorate

> <JCHEM_LOGP>
-0.09765369733333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
-6.891996239864091

> <JCHEM_POLAR_SURFACE_AREA>
74.27

> <JCHEM_REFRACTIVITY>
11.9079

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
magnesium(2+) ion diperchlorate

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for NP0334834 (Magnesium perchlorate)
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PDB for NP0334834 (Magnesium perchlorate)
HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1 Mg   UNK     0       0.000   0.000   0.000  0.00  0.00          Mg+2
HETATM    2  O   UNK     0       5.280  -1.540   0.000  0.00  0.00           O-1
HETATM    3 Cl   UNK     0       5.280   0.000   0.000  0.00  0.00          Cl+0
HETATM    4  O   UNK     0       5.280   1.540   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       6.820   0.000   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0       3.740   0.000   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       0.000  -7.700   0.000  0.00  0.00           O-1
HETATM    8 Cl   UNK     0       0.000  -6.160   0.000  0.00  0.00          Cl+0
HETATM    9  O   UNK     0       0.000  -4.620   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       1.540  -6.160   0.000  0.00  0.00           O+0
HETATM   11  O   UNK     0      -1.540  -6.160   0.000  0.00  0.00           O+0
CONECT    2    3                                                            
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3                                                            
CONECT    7    8                                                            
CONECT    8    7    9   10   11                                             
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    8                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   16    0
END

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3D PDB for NP0334834 (Magnesium perchlorate)
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SMILES for NP0334834 (Magnesium perchlorate)
[Mg++].[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O
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INCHI for NP0334834 (Magnesium perchlorate)
InChI=1S/2ClHO4.Mg/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2
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Synonyms
ValueSource
Magnesium perchloric acidGenerator
Chemical FormulaCl2MgO8
Average Mass223.2060 Da
Monoisotopic Mass221.88206 Da
IUPAC Namemagnesium(2+) ion diperchlorate
Traditional Namemagnesium(2+) ion diperchlorate
CAS Registry NumberNot Available
SMILES
[Mg++].[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O
InChI Identifier
InChI=1S/2ClHO4.Mg/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2
InChI KeyMPCRDALPQLDDFX-UHFFFAOYSA-L
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as alkaline earth metal perchlorates. These are inorganic compounds in which the largest oxoanion is perchlorate, and in which the heaviest atom not in an oxoanion is an alkaline earth metal.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassAlkaline earth metal oxoanionic compounds  
Sub ClassAlkaline earth metal perchlorates  
Direct ParentAlkaline earth metal perchlorates  
Alternative Parents
Substituents
  • Alkaline earth metal perchlorate
    • 

  • Inorganic oxide
    • 

  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.098ChemAxon
pKa (Strongest Acidic)-6.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area74.27 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity11.91 m³·mol⁻¹ChemAxon
Polarizability5.23 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0094714  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB015400  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMagnesium perchlorate  
METLIN IDNot Available
PubChem Compound24840  
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available