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Showing NP-Card for Sodium silicate (Na2SiO3) (NP0337770)

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Record Information
Version2.0
Created at2024-09-11 12:22:33 UTC
Updated at2024-09-11 12:22:33 UTC
NP-MRD IDNP0337770
Secondary Accession NumbersNone
Natural Product Identification
Common NameSodium silicate (Na2SiO3)
DescriptionHydrate silane sodium belongs to the class of inorganic compounds known as alkali 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 alkali metal. Based on a literature review a significant number of articles have been published on hydrate silane sodium.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0337770 (Sodium silicate (Na2SiO3))


  Mrv2104 05262314542D          

  3  0  0  0  0  0            999 V2000
  -98.4898    0.0000    0.0000 Na  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 NP0337770 (Sodium silicate (Na2SiO3))

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3D SDF for NP0337770 (Sodium silicate (Na2SiO3))

  Mrv2104 05262314542D          

  3  0  0  0  0  0            999 V2000
  -98.4898    0.0000    0.0000 Na  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>
NP0337770

> <DATABASE_NAME>
NP-MRD

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

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

> <INCHI_KEY>
YLYDAFKYKJJIKA-UHFFFAOYSA-N

> <FORMULA>
H6NaOSi

> <MOLECULAR_WEIGHT>
73.122

> <EXACT_MASS>
73.00856063

> <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 silane sodium

> <JCHEM_LOGP>
-0.77

> <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 silane sodium

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0337770 (Sodium silicate (Na2SiO3))
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PDB for NP0337770 (Sodium silicate (Na2SiO3))
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 Na   UNK     0    -183.848   0.000   0.000  0.00  0.00          Na+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 NP0337770 (Sodium silicate (Na2SiO3))
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SMILES for NP0337770 (Sodium silicate (Na2SiO3))
O.[Na].[SiH4]
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INCHI for NP0337770 (Sodium silicate (Na2SiO3))
InChI=1S/Na.H2O.H4Si/h;1H2;1H4
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Synonyms
ValueSource
Hydric acid silane sodiumGenerator
Chemical FormulaH6NaOSi
Average Mass73.1220 Da
Monoisotopic Mass73.00856 Da
IUPAC Namehydrate silane sodium
Traditional Namehydrate silane sodium
CAS Registry NumberNot Available
SMILES
O.[Na].[SiH4]
InChI Identifier
InChI=1S/Na.H2O.H4Si/h;1H2;1H4
InChI KeyYLYDAFKYKJJIKA-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 alkali 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 alkali metal.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassAlkali metal organides  
Sub ClassAlkali metal oxides  
Direct ParentAlkali metal oxides  
Alternative Parents
Substituents
  • Alkali 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-0.77ChemAxon
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 IDHMDB0303408  
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