Record Information
Version1.0
Creation Date2016-09-30 22:46:03 UTC
Update Date2020-04-22 15:08:14 UTC
BMDB IDBMDB0001443
Secondary Accession Numbers
  • BMDB01443
Metabolite Identification
Common NamePhosphite
DescriptionPhosphite, also known as [p(OH)3] or H3PO3, belongs to the class of inorganic compounds known as non-metal phosphites. These are inorganic non-metallic compounds containing a phosphite as its largest oxoanion. Based on a literature review very few articles have been published on Phosphite.
Structure
Thumb
Synonyms
ValueSource
[p(OH)3]ChEBI
H3PO3ChEBI
p(OH)3ChEBI
Phosphorige saeureChEBI
PhosphiteChEBI
Phosphorus trihydroxideMeSH, HMDB
Phosphonic acidMeSH, HMDB
Dihydroxyphosphine oxideMeSH, HMDB
Chemical FormulaH3O3P
Average Molecular Weight81.995
Monoisotopic Molecular Weight81.981980955
IUPAC Namephosphorous acid
Traditional Namephosphorous acid
CAS Registry Number10294-56-1
SMILES
OP(O)O
InChI Identifier
InChI=1S/H3O3P/c1-4(2)3/h1-3H
InChI KeyOJMIONKXNSYLSR-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as non-metal phosphites. These are inorganic non-metallic compounds containing a phosphite as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal phosphites
Direct ParentNon-metal phosphites
Alternative ParentsNot Available
Substituents
  • Non-metal phosphite
Molecular FrameworkNot Available
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.3ChemAxon
pKa (Strongest Acidic)17.92ChemAxon
pKa (Strongest Basic)-1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area60.69 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity14.53 m³·mol⁻¹ChemAxon
Polarizability5.17 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-d63cea791c91f32cd399View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-001i-9000000000-10e005a1ac676bbe26fdView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01q9-9000000000-728f07a03885884d3470View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-c9ef4bd03969478fa7c4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-659b5df2b4d0d05034d4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-e0b8d6780f606f7862bcView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-001i-9000000000-2217559fc003c12425d5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-01q9-9000000000-cc5b88e673bf4ebe057eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-9000000000-9e391185195582f0b2c1View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-9000000000-f4e2d26d69c87164f445View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-01q9-9000000000-f159e5e2dcf623faef98View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03di-9000000000-3d002249aad3025573b5View in MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0001443
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID97036
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPhosphite ester
METLIN IDNot Available
PubChem Compound107909
PDB IDNot Available
ChEBI ID36361
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available