Np mrd loader

Showing NP-Card for Rubidium (NP0046248)

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Record Information
Version2.0
Created at2022-03-17 19:54:58 UTC
Updated at2022-03-17 19:54:58 UTC
NP-MRD IDNP0046248
Secondary Accession NumbersNone
Natural Product Identification
Common NameRubidium
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0046248 (Rubidium)


  Mrv1652305221920092D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Rb  0  0  0  0  0  0  0  0  0  0  0  0
M  END
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3D MOL for NP0046248 (Rubidium)

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3D SDF for NP0046248 (Rubidium)

  Mrv1652305221920092D          

  1  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Rb  0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0046248

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Rb]

> <INCHI_IDENTIFIER>
InChI=1S/Rb

> <INCHI_KEY>
IGLNJRXAVVLDKE-UHFFFAOYSA-N

> <FORMULA>
Rb

> <MOLECULAR_WEIGHT>
85.4678

> <EXACT_MASS>
84.911789341

> <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>
rubidium

> <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>
rubidium

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0046248 (Rubidium)
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PDB for NP0046248 (Rubidium)
HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1 Rb   UNK     0       0.000   0.000   0.000  0.00  0.00          Rb+0
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

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3D PDB for NP0046248 (Rubidium)
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SMILES for NP0046248 (Rubidium)
[Rb]
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INCHI for NP0046248 (Rubidium)
InChI=1S/Rb
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View in JSmol
Synonyms
ValueSource
37RbChEBI
RbChEBI
RubidioChEBI
RubidiumChEBI
Chemical FormulaRb
Average Mass85.4678 Da
Monoisotopic Mass84.91179 Da
IUPAC Namerubidium
Traditional Namerubidium
CAS Registry Number7440-17-7
SMILES
[Rb]
InChI Identifier
InChI=1S/Rb
InChI KeyIGLNJRXAVVLDKE-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
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Corylus avellanaFooDB
Cucumis sativus L.FooDB
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
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Juglans nigra L.FooDB
Malus pumilaFooDB
Musa x paradisiacaFooDB
Pastinaca sativaFooDB
Petasites japonicusFooDB
Petroselinum crispumFooDB
Phaseolus vulgarisFooDB
Pistacia veraFooDB
Pisum sativumFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Pyrus communisFooDB
Raphanus sativusFooDB
Rheum rhabarbarumFooDB
Ribes nigrumFooDB
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Solanum lycopersicum var. lycopersicumFooDB
Solanum tuberosumFooDB
Spinacia oleraceaFooDB
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Vigna unguiculata ssp. unguiculataFooDB
Vitis vinifera L.FooDB
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as homogeneous alkali metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a alkali metal atom.
KingdomInorganic compounds  
Super ClassHomogeneous metal compounds  
ClassHomogeneous alkali metal compounds  
Sub ClassNot Available
Direct ParentHomogeneous alkali metal compounds  
Alternative ParentsNot Available
Substituents
  • Homogeneous alkali metal
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 IDDB11346  
Phenol Explorer Compound IDNot Available
FoodDB IDFDB003783  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkRubidium  
METLIN IDNot Available
PubChem Compound5357696  
PDB IDNot Available
ChEBI ID33322  
Good Scents IDNot Available
References
General ReferencesNot Available