Record Information
Version1.0
Creation Date2016-05-19 02:26:47 UTC
Update Date2016-11-09 01:09:56 UTC
Accession NumberCHEM007520
Identification
Common NameSODIUM PHOSPHATE, MONOBASIC
ClassSmall Molecule
Description
Contaminant Sources
  • EAFUS Chemicals
  • FooDB Chemicals
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Monosodium phosphateChEBI
NaH2po4ChEBI
Phosphoric acid, monosodium saltChEBI
Sodium dihydrogen phosphateChEBI
Sodium phosphate monobasic anhydrousChEBI
Anhydrous monobasic sodium phosphateKegg
Monosodium phosphoric acidGenerator
Phosphate, monosodium saltGenerator
Sodium dihydrogen phosphoric acidGenerator
Sodium phosphoric acid monobasic anhydrousGenerator
Anhydrous monobasic sodium phosphoric acidGenerator
Sodium phosphoric acid, monobasicGenerator
Sodium phosphate, monobasicChEBI
Sodium phosphoric acid (na(H2PO4))Generator
Chemical FormulaH2NaO4P
Average Molecular Mass119.977 g/mol
Monoisotopic Mass119.959 g/mol
CAS Registry Number7558-80-7
IUPAC Namesodium dihydrogen phosphate
Traditional Namesodium dihydrogen phosphate
SMILES[Na+].OP(O)([O-])=O
InChI IdentifierInChI=1S/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1
InChI KeyAJPJDKMHJJGVTQ-UHFFFAOYSA-M
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as alkali metal phosphates. These are inorganic compounds in which the largest oxoanion is phosphate, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassAlkali metal oxoanionic compounds
Sub ClassAlkali metal phosphates
Direct ParentAlkali metal phosphates
Alternative Parents
Substituents
  • Alkali metal phosphate
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
logP-1ChemAxon
pKa (Strongest Acidic)1.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area80.59 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity13.53 m³·mol⁻¹ChemAxon
Polarizability5.53 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-2900000000-bb8469bf6f114d34339aSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-00di-4900000000-bab66d5ac1c7568d95faSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-00e9-5900000000-cbf85bf10186a2eb87ffSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-001i-9100000000-8f5a2a50f31d07b9eb29Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-00or-9700000000-827cc1ea4d7fa068aa43Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-8e75f3fe6cbb103be529Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-04c1d51660b1dbfb8951Spectrum
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
DrugBank IDDB09449
HMDB IDHMDB0303430
FooDB IDFDB013365
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID22626
ChEBI ID37585
PubChem Compound ID24204
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available