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Showing NP-Card for Magnesium trisilicate (NP0338035)

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Record Information
Version2.0
Created at2024-09-11 13:33:12 UTC
Updated at2024-09-11 13:33:12 UTC
NP-MRD IDNP0338035
Secondary Accession NumbersNone
Natural Product Identification
Common NameMagnesium trisilicate
DescriptionHydrate magnesium silane belongs to the class of inorganic compounds known as alkaline earth metal oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an alkaline earth metal. Based on a literature review very few articles have been published on hydrate magnesium silane.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0338035 (Magnesium trisilicate)


  Mrv2104 05262316052D          

  3  0  0  0  0  0            999 V2000
  -98.4898    0.0000    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   98.4898    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0338035 (Magnesium trisilicate)

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3D SDF for NP0338035 (Magnesium trisilicate)

  Mrv2104 05262316052D          

  3  0  0  0  0  0            999 V2000
  -98.4898    0.0000    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   98.4898    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0338035

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O.[Mg].[SiH4]

> <INCHI_IDENTIFIER>
InChI=1S/Mg.H2O.H4Si/h;1H2;1H4

> <INCHI_KEY>
DJKRICXUZWDEDJ-UHFFFAOYSA-N

> <FORMULA>
H6MgOSi

> <MOLECULAR_WEIGHT>
74.437

> <EXACT_MASS>
74.00383305

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
9

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hydrate magnesium silane

> <JCHEM_LOGP>
-0.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
0.0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
hydrate magnesium silane

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0338035 (Magnesium trisilicate)
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PDB for NP0338035 (Magnesium trisilicate)
HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1 Mg   UNK     0    -183.848   0.000   0.000  0.00  0.00          Mg+0
HETATM    2  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    3 Si   UNK     0     183.848   0.000   0.000  0.00  0.00          Si+0
MASTER        0    0    0    0    0    0    0    0    3    0    0    0
END

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3D PDB for NP0338035 (Magnesium trisilicate)
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SMILES for NP0338035 (Magnesium trisilicate)
O.[Mg].[SiH4]
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INCHI for NP0338035 (Magnesium trisilicate)
InChI=1S/Mg.H2O.H4Si/h;1H2;1H4
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Synonyms
ValueSource
Hydric acid magnesium silaneGenerator
Chemical FormulaH6MgOSi
Average Mass74.4370 Da
Monoisotopic Mass74.00383 Da
IUPAC Namehydrate magnesium silane
Traditional Namehydrate magnesium silane
CAS Registry NumberNot Available
SMILES
O.[Mg].[SiH4]
InChI Identifier
InChI=1S/Mg.H2O.H4Si/h;1H2;1H4
InChI KeyDJKRICXUZWDEDJ-UHFFFAOYSA-N
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 oxides. These are inorganic compounds containing an oxygen atom of an oxidation state of -2, in which the heaviest atom bonded to the oxygen is an alkaline earth metal.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassAlkaline earth metal organides  
Sub ClassAlkaline earth metal oxides  
Direct ParentAlkaline earth metal oxides  
Alternative Parents
Substituents
  • Alkaline earth metal oxide
    • 

  • Inorganic oxide
    • 

  • Inorganic salt
    • 

  • Inorganic metalloid 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-0.57ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0303412  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References