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Showing NP-Card for Sodium borohydride (NP0337940)

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Record Information
Version2.0
Created at2024-09-11 13:08:21 UTC
Updated at2024-09-11 13:08:21 UTC
NP-MRD IDNP0337940
Secondary Accession NumbersNone
Natural Product Identification
Common NameSodium borohydride
DescriptionNot Available
Structure
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MOLSDFPDBSMILESInChI

MOL for NP0337940 (Sodium borohydride)


  Mrv0541 02241219112D          

  2  0  0  0  0  0            999 V2000
   98.4898  -42.0571    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  -98.4898   42.0571    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
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3D MOL for NP0337940 (Sodium borohydride)

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3D SDF for NP0337940 (Sodium borohydride)

  Mrv0541 02241219112D          

  2  0  0  0  0  0            999 V2000
   98.4898  -42.0571    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0
  -98.4898   42.0571    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
> <DATABASE_ID>
NP0337940

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[BH4-].[Na+]

> <INCHI_IDENTIFIER>
InChI=1S/BH4.Na/h1H4;/q-1;+1

> <INCHI_KEY>
YOQDYZUWIQVZSF-UHFFFAOYSA-N

> <FORMULA>
BH4Na

> <MOLECULAR_WEIGHT>
37.833

> <EXACT_MASS>
38.030375269

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7784

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
sodium boranuide

> <JCHEM_LOGP>
-0.77

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
0

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
sodium boranuide

> <JCHEM_VEBER_RULE>
1

$$$$

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3D-SDF for NP0337940 (Sodium borohydride)
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PDB for NP0337940 (Sodium borohydride)
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 Na   UNK     0     183.848 -78.507   0.000  0.00  0.00          Na+1
HETATM    2  B   UNK     0    -183.848  78.507   0.000  0.00  0.00           B-1
MASTER        0    0    0    0    0    0    0    0    2    0    0    0
END

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3D PDB for NP0337940 (Sodium borohydride)
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SMILES for NP0337940 (Sodium borohydride)
[BH4-].[Na+]
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INCHI for NP0337940 (Sodium borohydride)
InChI=1S/BH4.Na/h1H4;/q-1;+1
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Synonyms
ValueSource
Borohydrure de sodiumChEBI
NaBH4ChEBI
Sodium tetrahydridoborate(1-)ChEBI
Sodium tetrahydroborateChEBI
Sodium tetrahydroborate(1-)ChEBI
Sodium tetrahydridoboric acid(1-)Generator
Sodium tetrahydroboric acidGenerator
Sodium tetrahydroboric acid(1-)Generator
Sodium tetrahydridobate(1-)Generator
Sodium tetrahydridobic acid(1-)Generator
Sodium tetrahydrobateGenerator
Sodium tetrahydrobic acidGenerator
Sodium tetrahydrobate(1-)Generator
Sodium tetrahydrobic acid(1-)Generator
Chemical FormulaBH4Na
Average Mass37.8330 Da
Monoisotopic Mass38.03038 Da
IUPAC Namesodium boranuide
Traditional Namesodium boranuide
CAS Registry NumberNot Available
SMILES
[BH4-].[Na+]
InChI Identifier
InChI=1S/BH4.Na/h1H4;/q-1;+1
InChI KeyYOQDYZUWIQVZSF-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 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 Parents
Substituents
  • Inorganic sodium salt
    • 

  • Inorganic salt
    • 

  • Miscellaneous mixed metal/non-metal
    • 

  • Inorganic metalloid 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-0.77ChemAxon
Physiological Charge-1ChemAxon
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 IDFDB013313  
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkSodium borohydride  
METLIN IDNot Available
PubChem Compound28152  
PDB IDNot Available
ChEBI ID50985  
Good Scents IDNot Available
References
General ReferencesNot Available