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Showing NP-Card for Silicic acid (NP0046409)

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Record Information
Version2.0
Created at2022-03-17 20:00:35 UTC
Updated at2022-03-17 20:00:35 UTC
NP-MRD IDNP0046409
Secondary Accession NumbersNone
Natural Product Identification
Common NameSilicic acid
DescriptionSilicic acid, also known as kieselsaeure or monosilicate, belongs to the class of inorganic compounds known as miscellaneous silicates. These are inorganic compounds in which the largest metallic oxoanion is silicate, to which either no atom or a non metal atom is bonded. Research concerning the correlation of aluminium and Alzheimer's disease has included the ability of silicic acid in beer to reduce aluminium uptake in the digestive system as well as to increase renal excretion of aluminium Choline-stabilized orthosilicic acid (ch-OSA) is a dietary supplement. Outside the marine environment compounds of silicon have very little biological function. Silicic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Silicic acid is found, on average, in the highest concentration within borages. Silicic acid has also been detected, but not quantified in, several different foods, such as common beans, common buckwheats, oats, and rices. This could make silicic acid a potential biomarker for the consumption of these foods. The derivative Si(OH)3F has been characterized in aqueous solutions containing silicic acid and the fluoride ion. Si(OH)4 + F− ⇌ Si(OH)3F + OH−A fluoride Ion selective electrode was used to determine its stability constant.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0046409 (Silicic acid)


  Mrv0541 02241221522D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 O   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
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3D MOL for NP0046409 (Silicic acid)

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3D SDF for NP0046409 (Silicic acid)

  Mrv0541 02241221522D          

  5  4  0  0  0  0            999 V2000
    0.8250   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.0000    0.0000 O   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
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0046409

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[Si](O)(O)O

> <INCHI_IDENTIFIER>
InChI=1S/H4O4Si/c1-5(2,3)4/h1-4H

> <INCHI_KEY>
RMAQACBXLXPBSY-UHFFFAOYSA-N

> <FORMULA>
H4O4Si

> <MOLECULAR_WEIGHT>
96.1149

> <EXACT_MASS>
95.987885149

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.3704768351537275

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
silicic acid

> <JCHEM_LOGP>
-2.6008

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.358981612572368

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.822075785408108

> <JCHEM_PKA_STRONGEST_BASIC>
-4.800283011255641

> <JCHEM_POLAR_SURFACE_AREA>
80.92

> <JCHEM_REFRACTIVITY>
10.2584

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
silicic acid

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for NP0046409 (Silicic acid)
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PDB for NP0046409 (Silicic acid)
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  O   UNK     0       1.540  -1.540   0.000  0.00  0.00           O+0
HETATM    2 Si   UNK     0       1.540   0.000   0.000  0.00  0.00          Si+0
HETATM    3  O   UNK     0       1.540   1.540   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.080   0.000   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    4    5                                             
CONECT    3    2                                                            
CONECT    4    2                                                            
CONECT    5    2                                                            
MASTER        0    0    0    0    0    0    0    0    5    0    8    0
END

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3D PDB for NP0046409 (Silicic acid)
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SMILES for NP0046409 (Silicic acid)
O[Si](O)(O)O
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INCHI for NP0046409 (Silicic acid)
InChI=1S/H4O4Si/c1-5(2,3)4/h1-4H
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View in JSmol
Synonyms
ValueSource
[Si(OH)4]ChEBI
H4SIO4ChEBI
KieselsaeureChEBI
Monosilicic acidChEBI
OrthokieselsaeureChEBI
Orthosilicic acidChEBI
Silicon tetrahydroxideChEBI
TetrahydroxysilaneChEBI
MonosilicateGenerator
OrthosilicateGenerator
SilicateGenerator
Silicon hydroxide (si(OH)4)HMDB
TetrahidroxisilanoHMDB
TetrahydroxysilanHMDB
TetrahydroxysiliconHMDB
Chemical FormulaH4O4Si
Average Mass96.1149 Da
Monoisotopic Mass95.98789 Da
IUPAC Namesilicic acid
Traditional Namesilicic acid
CAS Registry Number10193-36-9
SMILES
O[Si](O)(O)O
InChI Identifier
InChI=1S/H4O4Si/c1-5(2,3)4/h1-4H
InChI KeyRMAQACBXLXPBSY-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Avena sativa L.FooDB
Borago officinalisFooDB
Fagopyrum esculentumFooDB
Oryza sativaFooDB
Phaseolus vulgarisFooDB
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as miscellaneous silicates. These are inorganic compounds in which the largest metallic oxoanion is silicate, to which either no atom or a non metal atom is bonded.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassMiscellaneous mixed metal/non-metals  
Sub ClassMiscellaneous metallic oxoanionic compounds  
Direct ParentMiscellaneous silicates  
Alternative Parents
Substituents
  • Silicate
    • 

  • Inorganic salt
    • 

  • Inorganic metalloid salt
Molecular FrameworkNot Available
External Descriptors
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-2.6ChemAxon
pKa (Strongest Acidic)9.82ChemAxon
pKa (Strongest Basic)-4.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area80.92 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity10.26 m³·mol⁻¹ChemAxon
Polarizability6.37 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0031436  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB004245  
KNApSAcK IDNot Available
Chemspider ID14236  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSilicic acid  
METLIN IDNot Available
PubChem Compound14942  
PDB IDNot Available
ChEBI ID26675  
Good Scents IDNot Available
References
General ReferencesNot Available