Np mrd loader

Showing NP-Card for Aluminum (NP0046183)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version2.0
Created at2022-03-17 19:49:50 UTC
Updated at2022-03-17 19:49:50 UTC
NP-MRD IDNP0046183
Secondary Accession NumbersNone
Natural Product Identification
Common NameAluminum
DescriptionNot Available
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0046183 (Aluminum)


  Mrv1652305221920072D          

  4  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    1.7679    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
M  END
Download

3D MOL for NP0046183 (Aluminum)

Download
3D SDF for NP0046183 (Aluminum)

  Mrv1652305221920072D          

  4  0  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 Al  0  0  0  0  0  0  0  0  0  0  0  0
    1.7679    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7679   -1.6500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
M  END
> <DATABASE_ID>
NP0046183

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H].[H].[H].[Al]

> <INCHI_IDENTIFIER>
InChI=1S/Al.3H

> <INCHI_KEY>
AZDRQVAHHNSJOQ-UHFFFAOYSA-N

> <FORMULA>
AlH3

> <MOLECULAR_WEIGHT>
30.0054

> <EXACT_MASS>
30.005013537

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
alumane

> <JCHEM_LOGP>
1.4499999999999997

> <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>
alumane

> <JCHEM_VEBER_RULE>
1

$$$$

Download
3D-SDF for NP0046183 (Aluminum)
Download
PDB for NP0046183 (Aluminum)
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 Al   UNK     0       0.000   0.000   0.000  0.00  0.00          Al+0
HETATM    2  H   UNK     0       3.300   0.000   0.000  0.00  0.00           H+0
HETATM    3  H   UNK     0       0.000  -3.080   0.000  0.00  0.00           H+0
HETATM    4  H   UNK     0       3.300  -3.080   0.000  0.00  0.00           H+0
MASTER        0    0    0    0    0    0    0    0    4    0    0    0
END

Download
3D PDB for NP0046183 (Aluminum)
Download
SMILES for NP0046183 (Aluminum)
[H].[H].[H].[Al]
Download
INCHI for NP0046183 (Aluminum)
InChI=1S/Al.3H
Download
View in JSmol
Synonyms
ValueSource
[AlH3]ChEBI
AlaneChEBI
AlH3ChEBI
Aluminum hydrideChEBI
Aluminum trihydrideChEBI
Chemical FormulaAlH3
Average Mass30.0054 Da
Monoisotopic Mass30.00501 Da
IUPAC Namealumane
Traditional Namealumane
CAS Registry Number7429-90-5
SMILES
[H].[H].[H].[Al]
InChI Identifier
InChI=1S/Al.3H
InChI KeyAZDRQVAHHNSJOQ-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Allium cepaFooDB
Allium sativumFooDB
Anacardium occidentaleFooDB
Anethum graveolensFooDB
Annona muricataFooDB
Apium graveolensFooDB
Arachis hypogaeaFooDB
Arctium lappaFooDB
Armoracia rusticanaFooDB
Asparagus officinalisFooDB
Avena sativa L.FooDB
Averrhoa carambolaFooDB
Bertholletia excelsaFooDB
Brassica oleracea var. capitataFooDB
Brassica oleracea var. italicaFooDB
Capsicum annuumFooDB
Capsicum annuum var. annuumFooDB
Carthamus tinctoriusFooDB
Chamaemelum nobileFooDB
Chondrus crispusFooDB
Cichorium endiviaFooDB
Cichorium intybusFooDB
Citrus reticulataFooDB
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Cocos nuciferaFooDB
Colocasia esculentaFooDB
Corylus avellanaFooDB
Cucumis meloFooDB
Cucumis sativus L.FooDB
Cymbopogon citratusFooDB
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
DioscoreaFooDB
Diospyros virginianaFooDB
Foeniculum vulgareFooDB
Glycine maxFooDB
Hibiscus sabbariffaFooDB
Hordeum vulgareFooDB
Ipomoea batatasFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Lactuca sativaFooDB
Malus pumilaFooDB
Manihot esculentaFooDB
Mentha x piperitaFooDB
Musa x paradisiacaFooDB
Pastinaca sativaFooDB
Petroselinum crispumFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
Phoenix dactyliferaFooDB
Pimenta dioicaFooDB
Pistacia veraFooDB
Pisum sativumFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Pyrus communisFooDB
Raphanus sativusFooDB
Rheum rhabarbarumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
Rubus chamaemorusFooDB
Rubus idaeusFooDB
Salvia officinalisFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum tuberosumFooDB
Spinacia oleraceaFooDB
Syzygium aromaticumFooDB
Taraxacum officinaleFooDB
Thymus vulgarisFooDB
Tragopogon porrifoliusFooDB
Trigonella foenum-graecumFooDB
Vaccinium macrocarponFooDB
Vaccinium myrtillusFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vitis vinifera L.FooDB
Xanthosoma sagittifoliumFooDB
Zea mays L.FooDB
Zingiber officinaleFooDB
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as miscellaneous mixed metal/non-metals. These are inorganic compounds containing non-metal as well as metal atoms but not belonging to afore mentioned classes.
KingdomInorganic compounds  
Super ClassMixed metal/non-metal compounds  
ClassMiscellaneous mixed metal/non-metals  
Sub ClassNot Available
Direct ParentMiscellaneous mixed metal/non-metals  
Alternative ParentsNot Available
Substituents
  • Miscellaneous mixed metal/non-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
logP1.45ChemAxon
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 IDFDB003570  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAluminium  
METLIN IDNot Available
PubChem Compound14488  
PDB IDNot Available
ChEBI ID30136  
Good Scents IDNot Available
References
General ReferencesNot Available