Np mrd loader

Showing NP-Card for Praseodymium (NP0049981)

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Record Information
Version2.0
Created at2022-03-17 21:21:16 UTC
Updated at2022-03-17 21:21:16 UTC
NP-MRD IDNP0049981
Secondary Accession NumbersNone
Natural Product Identification
Common NamePraseodymium
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0049981 (Praseodymium)


  Mrv0541 03031519452D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Pr  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0049981 (Praseodymium)

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3D SDF for NP0049981 (Praseodymium)

  Mrv0541 03031519452D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Pr  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0049981

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Pr]

> <INCHI_IDENTIFIER>
InChI=1S/Pr

> <INCHI_KEY>
PUDIUYLPXJFUGB-UHFFFAOYSA-N

> <FORMULA>
Pr

> <MOLECULAR_WEIGHT>
140.9077

> <EXACT_MASS>
140.90766

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
praseodymium

> <JCHEM_LOGP>
0.0

> <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>
praseodymium

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0049981 (Praseodymium)
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PDB for NP0049981 (Praseodymium)
HEADER    PROTEIN                                 03-MAR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   03-MAR-15         0                                  
HETATM    1 Pr   UNK     0       0.000   0.000   0.000  0.00  0.00          Pr+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0049981 (Praseodymium)
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SMILES for NP0049981 (Praseodymium)
[Pr]
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INCHI for NP0049981 (Praseodymium)
InChI=1S/Pr
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Synonyms
ValueSource
59PRChEBI
PrChEBI
PraseodimioChEBI
PraseodymChEBI
PraseodymeChEBI
Chemical FormulaPr
Average Mass140.9077 Da
Monoisotopic Mass140.90766 Da
IUPAC Namepraseodymium
Traditional Namepraseodymium
CAS Registry Number7440-10-0
SMILES
[Pr]
InChI Identifier
InChI=1S/Pr
InChI KeyPUDIUYLPXJFUGB-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 homogeneous lanthanide compounds. These are inorganic compounds containing only metal atoms, with the largest atom being a lanthanide atom.
KingdomInorganic compounds  
Super ClassHomogeneous metal compounds  
ClassHomogeneous lanthanide compounds  
Sub ClassNot Available
Direct ParentHomogeneous lanthanide compounds  
Alternative ParentsNot Available
Substituents
  • Homogeneous lanthanide
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
logP0ChemAxon
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 IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB030050  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPraseodymium  
METLIN IDNot Available
PubChem Compound23942  
PDB IDNot Available
ChEBI ID49828  
Good Scents IDNot Available
References
General ReferencesNot Available