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Showing NP-Card for Tellurite (NP0092011)

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Record Information
Version2.0
Created at2022-05-11 18:54:41 UTC
Updated at2022-05-11 18:54:41 UTC
NP-MRD IDNP0092011
Secondary Accession NumbersNone
Natural Product Identification
Common NameTellurite
DescriptionTellurite, also known as tellurite (teo2) or tellurium dioxide, belongs to the class of inorganic compounds known as metalloid 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 metalloid. Most tellurite compounds can be formed by heating the relevant oxide with tellurium dioxide, e.G., Na2O + Tellurite -> Na2TeO3. Tellurite is a rare oxide mineral composed of Tellurite (TeO2). The tellurite ion is TeO32−. It occurs in the oxidation zone of mineral deposits containing tellurium minerals(Wikipedia). In slightly acid conditions, we have hydrogen tellurite ion, HTeO3−; with more acidic conditions we have tellurous acid, H2TeO3. Tellurite is an extremely weak basic (essentially neutral) compound (based on its pKa). A tellurite (compound) is a compound that contains this ion.
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0092011 (Tellurite)


  Mrv0541 02241203552D          

  3  2  0  0  0  0            999 V2000
   14.8831  -12.7030    0.0000 Te  0  0  0  0  0  0  0  0  0  0  0  0
   14.0581  -12.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7081  -12.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
M  END
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3D MOL for NP0092011 (Tellurite)

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3D SDF for NP0092011 (Tellurite)

  Mrv0541 02241203552D          

  3  2  0  0  0  0            999 V2000
   14.8831  -12.7030    0.0000 Te  0  0  0  0  0  0  0  0  0  0  0  0
   14.0581  -12.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7081  -12.7030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0092011

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O=[Te]=O

> <INCHI_IDENTIFIER>
InChI=1S/O2Te/c1-3-2

> <INCHI_KEY>
LAJZODKXOMJMPK-UHFFFAOYSA-N

> <FORMULA>
O2Te

> <MOLECULAR_WEIGHT>
159.6

> <EXACT_MASS>
161.896051997

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
4.424453520723221

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(oxo-λ⁴-tellanyl)one

> <JCHEM_LOGP>
-0.7028

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-6.02462779027774

> <JCHEM_POLAR_SURFACE_AREA>
34.14

> <JCHEM_REFRACTIVITY>
2.8858

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
tellurium dioxide

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0092011 (Tellurite)
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PDB for NP0092011 (Tellurite)
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 Te   UNK     0      27.782 -23.712   0.000  0.00  0.00          Te+0
HETATM    2  O   UNK     0      26.242 -23.712   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0      29.322 -23.712   0.000  0.00  0.00           O+0
CONECT    1    2    3                                                       
CONECT    2    1                                                            
CONECT    3    1                                                            
MASTER        0    0    0    0    0    0    0    0    3    0    4    0
END

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3D PDB for NP0092011 (Tellurite)
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SMILES for NP0092011 (Tellurite)
O=[Te]=O
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INCHI for NP0092011 (Tellurite)
InChI=1S/O2Te/c1-3-2
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View in JSmol
Synonyms
ValueSource
Tellurite (teo2)HMDB
Tellurium dioxideHMDB
Tellurium oxideHMDB
Tellurium oxide (teo2)HMDB
Tellurium(IV) oxideHMDB
TeO2HMDB
Chemical FormulaO2Te
Average Mass159.6000 Da
Monoisotopic Mass161.89605 Da
IUPAC Name(oxo-λ⁴-tellanyl)one
Traditional Nametellurium dioxide
CAS Registry NumberNot Available
SMILES
O=[Te]=O
InChI Identifier
InChI=1S/O2Te/c1-3-2
InChI KeyLAJZODKXOMJMPK-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
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Melanitta fuscaFooDB
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Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as metalloid 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 metalloid.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassMetalloid organides  
Sub ClassMetalloid oxides  
Direct ParentMetalloid oxides  
Alternative Parents
Substituents
  • Metalloid 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-0.7ChemAxon
pKa (Strongest Basic)-6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area34.14 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity2.89 m³·mol⁻¹ChemAxon
Polarizability4.42 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0012288  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB028917  
KNApSAcK IDNot Available
Chemspider ID56390  
KEGG Compound IDNot Available
BioCyc IDCPD-4544  
BiGG IDNot Available
Wikipedia LinkTellurite  
METLIN IDNot Available
PubChem Compound62638  
PDB IDNot Available
ChEBI ID30477  
Good Scents IDNot Available
References
General ReferencesNot Available