Np mrd loader

Showing NP-Card for Orthoperiodic acid (NP0337960)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version2.0
Created at2024-09-11 13:13:24 UTC
Updated at2024-09-11 13:13:25 UTC
NP-MRD IDNP0337960
Secondary Accession NumbersNone
Natural Product Identification
Common NameOrthoperiodic acid
DescriptionOrthoperiodic acid, also known as H5IO6 or [io(OH)5], belongs to the class of inorganic compounds known as halogen 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 halogen. Orthoperiodic acid is possibly neutral. Outside of the human body, Orthoperiodic acid has been detected, but not quantified in, milk and milk products. This could make orthoperiodic acid a potential biomarker for the consumption of these foods. Periodate is part of a series of oxyacids in which iodine can assume oxidation states of −1, +1, +3, +5, or +7. This process is often used in labeling saccharides with fluorescent molecules or other tags such as biotin. This can be useful in determining the structure of carbohydrates as periodic acid can be used to open saccharide rings. Metaperiodic acid can also be prepared from various orthoperiodates by treatment with dilute nitric acid. Like all periodates it can exist in two forms: Orthoperiodic acid, with the chemical formula H5IO6 and metaperiodic acid, which has the formula HIO4. Orthoperiodic acid forms monoclinic crystals (space group P21/n) consisting of slightly deformed IO6 octahedron interlinked via bridging hydrogens. H5IO6 ⇌ H4IO−6 + H+, pKa 3.29H4IO−6 ⇌ H3IO2−6 + H+, pKa 8.31H3IO2−6 ⇌ H2IO3−6 + H+, pKa 11.60There being two forms of periodic acid, it follows that two types of periodate salts are formed.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0337960 (Orthoperiodic acid)


  Mrv0541 02241219142D          

  7  6  0  0  0  0            999 V2000
    0.7015    0.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015   -0.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015    0.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015   -0.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
Download

3D MOL for NP0337960 (Orthoperiodic acid)

Download
3D SDF for NP0337960 (Orthoperiodic acid)

  Mrv0541 02241219142D          

  7  6  0  0  0  0            999 V2000
    0.7015    0.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0409    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015   -0.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015    0.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015   -0.4121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0337960

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[I](O)(O)(O)(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/H5IO6/c2-1(3,4,5,6)7/h(H5,2,3,4,5,6,7)

> <INCHI_KEY>
TWLXDPFBEPBAQB-UHFFFAOYSA-N

> <FORMULA>
H5IO6

> <MOLECULAR_WEIGHT>
227.9406

> <EXACT_MASS>
227.913081312

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
13.130519750011956

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
tetrahydroxyiodous acid

> <JCHEM_LOGP>
-0.5775165453333333

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.897865039829606

> <JCHEM_POLAR_SURFACE_AREA>
118.22000000000001

> <JCHEM_REFRACTIVITY>
27.606699999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
tetrahydroxyiodous acid

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0337960 (Orthoperiodic acid)
Download
PDB for NP0337960 (Orthoperiodic 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       1.309   0.769   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       0.076   1.540   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       0.076  -1.540   0.000  0.00  0.00           O+0
HETATM    4  I   UNK     0       0.076   0.000   0.000  0.00  0.00           I+0
HETATM    5  O   UNK     0      -1.309  -0.769   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      -1.309   0.769   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       1.309  -0.769   0.000  0.00  0.00           O+0
CONECT    1    4                                                            
CONECT    2    4                                                            
CONECT    3    4                                                            
CONECT    4    1    2    3    5                                             
CONECT    4    6    7                                   
CONECT    5    4                                                            
CONECT    6    4                                                            
CONECT    7    4                                                            
MASTER        0    0    0    0    0    0    0    0    7    0   12    0
END

Download
3D PDB for NP0337960 (Orthoperiodic acid)
Download
SMILES for NP0337960 (Orthoperiodic acid)
O[I](O)(O)(O)(O)=O
Download
INCHI for NP0337960 (Orthoperiodic acid)
InChI=1S/H5IO6/c2-1(3,4,5,6)7/h(H5,2,3,4,5,6,7)
Download
View in JSmol
Synonyms
ValueSource
[IO(OH)5]ChEBI
H5IO6ChEBI
OrthoperiodateGenerator
Hexaoxoiodic(5-) acidHMDB
Paraperiodic acidHMDB
Pentahydrogen hexaoxoiodate(5-)HMDB
PentahydroxidooxidoiodineHMDB
Pentahydroxy-lambda(7)-iodanoneHMDB
Periodic acidHMDB
Periodic acid (H5io6)HMDB
Periodic acid, crystHMDB
Acids, periodicMeSH
Periodic acid (hio4)MeSH
Acid, paraperiodicMeSH
Acid, periodicMeSH
Periodic acidsMeSH
Chemical FormulaH5IO6
Average Mass227.9406 Da
Monoisotopic Mass227.91308 Da
IUPAC Nametetrahydroxyiodous acid
Traditional Nametetrahydroxyiodous acid
CAS Registry NumberNot Available
SMILES
O[I](O)(O)(O)(O)=O
InChI Identifier
InChI=1S/H5IO6/c2-1(3,4,5,6)7/h(H5,2,3,4,5,6,7)
InChI KeyTWLXDPFBEPBAQB-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 halogen 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 halogen.
KingdomInorganic compounds  
Super ClassHomogeneous non-metal compounds  
ClassHalogen organides  
Sub ClassHalogen oxides  
Direct ParentHalogen oxides  
Alternative Parents
Substituents
  • Halogen oxide
    • 

  • Inorganic oxide
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-0.58ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area118.22 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity27.61 m³·mol⁻¹ChemAxon
Polarizability13.13 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0034831  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB013395  
KNApSAcK IDNot Available
Chemspider ID23622  
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPeriodic acid  
METLIN IDNot Available
PubChem Compound25289  
PDB IDNot Available
ChEBI ID29150  
Good Scents IDNot Available
References
General ReferencesNot Available