Np mrd loader

Showing NP-Card for Hydroxide (NP0334673)

Jump To Section:
IdentificationSpectraBioTaxonomyChemoTaxonomyPhysical propertiesLinksReferencesXML
Record Information
Version2.0
Created at2024-09-10 19:26:43 UTC
Updated at2024-09-10 19:26:44 UTC
NP-MRD IDNP0334673
Secondary Accession NumbersNone
Natural Product Identification
Common NameHydroxide
DescriptionHydroxide, also known as hydroxy or hydroxide ion, belongs to the class of inorganic compounds known as non-metal hydroxides. These are inorganic non-metallic compounds containing the hydroxide group as its largest oxoanion. Hydroxide is an extremely weak basic (essentially neutral) compound (based on its pKa). Hydroxide exists in all living species, ranging from bacteria to humans.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0334673 (Hydroxide)

961
  Mrv0541 02231218532D          

  1  0  0  0  0  0            999 V2000
    2.4750    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1  -1
M  END
Download

3D MOL for NP0334673 (Hydroxide)

Download
3D SDF for NP0334673 (Hydroxide)
961
  Mrv0541 02231218532D          

  1  0  0  0  0  0            999 V2000
    2.4750    0.0000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
M  CHG  1   1  -1
M  END
> <DATABASE_ID>
NP0334673

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[OH-]

> <INCHI_IDENTIFIER>
InChI=1S/H2O/h1H2/p-1

> <INCHI_KEY>
XLYOFNOQVPJJNP-UHFFFAOYSA-M

> <FORMULA>
HO

> <MOLECULAR_WEIGHT>
17.0073

> <EXACT_MASS>
17.002739654

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
1.1909242651253518

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
-1

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
hydroxide

> <JCHEM_LOGP>
-0.6519999999999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.7

> <JCHEM_PKA_STRONGEST_BASIC>
-1.7999999999999998

> <JCHEM_POLAR_SURFACE_AREA>
0

> <JCHEM_REFRACTIVITY>
13.914900000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
hydroxide

> <JCHEM_VEBER_RULE>
1

$$$$

Download
3D-SDF for NP0334673 (Hydroxide)
Download
PDB for NP0334673 (Hydroxide)
HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 961                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       4.620   0.000   0.000  0.00  0.00           O-1
MASTER        0    0    0    0    0    0    0    0    1    0    0    0
END

Download
3D PDB for NP0334673 (Hydroxide)
Download
SMILES for NP0334673 (Hydroxide)
[OH-]
Download
INCHI for NP0334673 (Hydroxide)
InChI=1S/H2O/h1H2/p-1
Download
View in JSmol
Synonyms
ValueSource
HYDROXIDE ionChEBI
OH(-)ChEBI
Hydridooxygenate(1-)HMDB
Hydrogen oxideHMDB
Hydroxide anionHMDB
Hydroxide ion(1-)HMDB
Hydroxide(1-)HMDB
HydroxyHMDB
Hydroxy anionHMDB
Hydroxy ionHMDB
HydroxylHMDB
Hydroxyl anionHMDB
Hydroxyl ionHMDB
Hydroxyl ion (OH1-)HMDB
Hydroxyl radicalHMDB
Hydroxyl radicalsHMDB
OHHMDB
OxidanideHMDB
Oxygen ion (O1-)HMDB
Water ion(1-)HMDB
Chemical FormulaHO
Average Mass17.0073 Da
Monoisotopic Mass17.00274 Da
IUPAC Namehydroxide
Traditional Namehydroxide
CAS Registry NumberNot Available
SMILES
[OH-]
InChI Identifier
InChI=1S/H2O/h1H2/p-1
InChI KeyXLYOFNOQVPJJNP-UHFFFAOYSA-M
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 non-metal hydroxides. These are inorganic non-metallic compounds containing the hydroxide group as its largest oxoanion.
KingdomInorganic compounds  
Super ClassHomogeneous non-metal compounds  
ClassNon-metal oxoanionic compounds  
Sub ClassNon-metal hydroxides  
Direct ParentNon-metal hydroxides  
Alternative Parents
Substituents
  • Non-metal hydroxide
    • 

  • Inorganic hydride
    • 

  • Inorganic oxide
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-0.65ChemAxon
pKa (Strongest Acidic)15.7ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.91 m³·mol⁻¹ChemAxon
Polarizability1.19 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0001039  
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB022386  
KNApSAcK IDNot Available
Chemspider ID936  
KEGG Compound IDC01328  
BioCyc IDOH  
BiGG ID37371  
Wikipedia LinkHydroxide  
METLIN IDNot Available
PubChem Compound961  
PDB IDNot Available
ChEBI ID16234  
Good Scents IDNot Available
References
General ReferencesNot Available