Np mrd loader

Showing NP-Card for Permanganate (NP0086775)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version2.0
Created at2022-05-11 16:30:38 UTC
Updated at2022-05-11 16:30:38 UTC
NP-MRD IDNP0086775
Secondary Accession NumbersNone
Natural Product Identification
Common NamePermanganate
DescriptionNot Available
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0086775 (Permanganate)

24401
  Mrv0541 02231219072D          

  5  4  0  0  0  0            999 V2000
    2.2334    0.0000    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.5834    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8167    0.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -0.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
M  CHG  1   2  -1
M  END
Download

3D MOL for NP0086775 (Permanganate)

Download
3D SDF for NP0086775 (Permanganate)
24401
  Mrv0541 02231219072D          

  5  4  0  0  0  0            999 V2000
    2.2334    0.0000    0.0000 Mn  0  0  0  0  0  0  0  0  0  0  0  0
    1.6500   -0.5834    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    2.8167    0.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8167   -0.5834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  5  2  0  0  0  0
M  CHG  1   2  -1
M  END
> <DATABASE_ID>
NP0086775

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[O-][Mn](=O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1S/Mn.4O/q;;;;-1

> <INCHI_KEY>
NPDODHDPVPPRDJ-UHFFFAOYSA-N

> <FORMULA>
MnO4

> <MOLECULAR_WEIGHT>
118.9356

> <EXACT_MASS>
118.917708124

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
6.0758176580462155

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
manganesoylolate

> <JCHEM_LOGP>
-2.3404

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.438312461148566

> <JCHEM_POLAR_SURFACE_AREA>
74.27

> <JCHEM_REFRACTIVITY>
5.7716

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
permanganate

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0086775 (Permanganate)
Download
PDB for NP0086775 (Permanganate)
HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 24401                                             
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1 Mn   UNK     0       4.169   0.000   0.000  0.00  0.00          Mn+0
HETATM    2  O   UNK     0       3.080  -1.089   0.000  0.00  0.00           O-1
HETATM    3  O   UNK     0       5.258   1.089   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.080   1.089   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0       5.258  -1.089   0.000  0.00  0.00           O+0
CONECT    1    2    3    4    5                                             
CONECT    2    1                                                            
CONECT    3    1                                                            
CONECT    4    1                                                            
CONECT    5    1                                                            
MASTER        0    0    0    0    0    0    0    0    5    0    8    0
END

Download
3D PDB for NP0086775 (Permanganate)
Download
SMILES for NP0086775 (Permanganate)
[O-][Mn](=O)(=O)=O
Download
INCHI for NP0086775 (Permanganate)
InChI=1S/Mn.4O/q;;;;-1
Download
View in JSmol
Synonyms
ValueSource
[MnO4](-)ChEBI
Manganat(VII)ChEBI
MnO4(-)ChEBI
PermanganatChEBI
Permanganate ionChEBI
Tetraoxomanganate(1-)ChEBI
Tetraoxomanganate(VII)ChEBI
Permanganic acid ionGenerator
Tetraoxomanganic acid(1-)Generator
Tetraoxomanganic acid(VII)Generator
Permanganic acidGenerator
MnO4(1-)MeSH
Permanganate (mno4-) ionHMDB
Permanganate anionHMDB
Permanganate ion(1-)HMDB
Permanganate(1-)HMDB
Permanganic acid (hmno4) ion(1-)HMDB
Chemical FormulaMnO4
Average Mass118.9356 Da
Monoisotopic Mass118.91771 Da
IUPAC Namemanganesoylolate
Traditional Namepermanganate
CAS Registry NumberNot Available
SMILES
[O-][Mn](=O)(=O)=O
InChI Identifier
InChI=1S/Mn.4O/q;;;;-1
InChI KeyNPDODHDPVPPRDJ-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Anas platyrhynchosFooDB
AnatidaeFooDB
Anser anserFooDB
Bison bisonFooDB
Bos taurusFooDB
Bos taurus X Bison bisonFooDB
Bubalus bubalisFooDB
Capra aegagrus hircusFooDB
CervidaeFooDB
Cervus canadensisFooDB
ColumbaFooDB
ColumbidaeFooDB
Dromaius novaehollandiaeFooDB
Equus caballusFooDB
Gallus gallusFooDB
Lagopus mutaFooDB
LeporidaeFooDB
Lepus timidusFooDB
Melanitta fuscaFooDB
Meleagris gallopavoFooDB
Numida meleagrisFooDB
OdocoileusFooDB
OryctolagusFooDB
Ovis ariesFooDB
PhasianidaeFooDB
Phasianus colchicusFooDB
Struthio camelusFooDB
Sus scrofaFooDB
Sus scrofa domesticaFooDB
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as inorganic oxides. These are inorganic chemical compounds with one or more oxygen atoms combined with another element.
KingdomInorganic compounds  
Super ClassMiscellaneous inorganic compounds  
ClassInorganic oxides  
Sub ClassNot Available
Direct ParentInorganic oxides  
Alternative Parents
Substituents
  • Inorganic oxide
    • 

  • Inorganic 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-2.3ChemAxon
pKa (Strongest Acidic)11.44ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area74.27 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity5.77 m³·mol⁻¹ChemAxon
Polarizability6.08 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB022610  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPermanganate  
METLIN IDNot Available
PubChem Compound24401  
PDB IDNot Available
ChEBI ID25939  
Good Scents IDNot Available
References
General ReferencesNot Available