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Showing NP-Card for Aluminium potassium silicate (NP0337414)

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Record Information
Version2.0
Created at2024-09-11 10:45:27 UTC
Updated at2024-09-11 10:45:27 UTC
NP-MRD IDNP0337414
Secondary Accession NumbersNone
Natural Product Identification
Common NameAluminium potassium silicate
DescriptionAluminium tetrahydrate potassium silane belongs to the class of inorganic compounds known as post-transition 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 a post-transition metal. Based on a literature review very few articles have been published on aluminium tetrahydrate potassium silane.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0337414 (Aluminium potassium silicate)


  Mrv2104 05262313172D          

  7  0  0  0  0  0            999 V2000
  -36.8293   13.2026    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
  -18.7603    2.7804    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953   13.2026    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   17.3716    2.7804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3716  -13.2026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.8293    3.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.8293  -12.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0337414 (Aluminium potassium silicate)

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3D SDF for NP0337414 (Aluminium potassium silicate)

  Mrv2104 05262313172D          

  7  0  0  0  0  0            999 V2000
  -36.8293   13.2026    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
  -18.7603    2.7804    0.0000 K   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6953   13.2026    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   17.3716    2.7804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3716  -13.2026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.8293    3.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.8293  -12.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0337414

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O.O.O.O.[Al].[SiH4].[K]

> <INCHI_IDENTIFIER>
InChI=1S/Al.K.4H2O.H4Si/h;;4*1H2;1H4

> <INCHI_KEY>
FDRYSRKLXCOCTM-UHFFFAOYSA-N

> <FORMULA>
AlH12KO4Si

> <MOLECULAR_WEIGHT>
170.257

> <EXACT_MASS>
169.9957304

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
19

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
aluminium tetrahydrate potassium silane

> <JCHEM_LOGP>
1.4499999999999997

> <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>
aluminium tetrahydrate potassium silane

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0337414 (Aluminium potassium silicate)
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PDB for NP0337414 (Aluminium potassium silicate)
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 Al   UNK     0     -68.748  24.645   0.000  0.00  0.00          Al+0
HETATM    2  K   UNK     0     -35.019   5.190   0.000  0.00  0.00           K+0
HETATM    3 Si   UNK     0      -1.298  24.645   0.000  0.00  0.00          Si+0
HETATM    4  O   UNK     0      32.427   5.190   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      32.427 -24.645   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      68.748   6.488   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0      68.748 -23.347   0.000  0.00  0.00           O+0
MASTER        0    0    0    0    0    0    0    0    7    0    0    0
END

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3D PDB for NP0337414 (Aluminium potassium silicate)
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SMILES for NP0337414 (Aluminium potassium silicate)
O.O.O.O.[Al].[SiH4].[K]
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INCHI for NP0337414 (Aluminium potassium silicate)
InChI=1S/Al.K.4H2O.H4Si/h;;4*1H2;1H4
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Synonyms
ValueSource
Aluminium tetrahydric acid potassium silaneGenerator
Chemical FormulaAlH12KO4Si
Average Mass170.2570 Da
Monoisotopic Mass169.99573 Da
IUPAC Namealuminium tetrahydrate potassium silane
Traditional Namealuminium tetrahydrate potassium silane
CAS Registry NumberNot Available
SMILES
O.O.O.O.[Al].[SiH4].[K]
InChI Identifier
InChI=1S/Al.K.4H2O.H4Si/h;;4*1H2;1H4
InChI KeyFDRYSRKLXCOCTM-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 post-transition 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 a post-transition metal.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassPost-transition metal organides  
Sub ClassPost-transition metal oxides  
Direct ParentPost-transition metal oxides  
Alternative Parents
Substituents
  • Post-transition 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
logP1.45ChemAxon
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 IDHMDB0303330  
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 ReferencesNot Available