Record Information
Version1.0
Creation Date2016-05-19 02:55:45 UTC
Update Date2016-11-09 01:13:54 UTC
Accession NumberCHEM008961
Identification
Common NameSodium phosphate monobasic monohydrate
ClassSmall Molecule
DescriptionA hydrate that is the monohydrate form of sodium dihydrogenphosphate.
Contaminant Sources
  • HPV EPA Chemicals
Contaminant TypeNot Available
Chemical Structure
Thumb
Synonyms
ValueSource
Monosodium phosphate monohydrateChEBI
Sodium dihydrogen phosphate monohydrateChEBI
Sodium phosphate monobasic monohydrateChEBI
Sodium phosphate monohydrateChEBI
Monosodium phosphoric acid monohydric acidGenerator
Sodium dihydrogen phosphoric acid monohydric acidGenerator
Sodium phosphoric acid monobasic monohydric acidGenerator
Sodium phosphoric acid monohydric acidGenerator
Sodium dihydrogenphosphoric acid monohydric acidGenerator
Sodium;dihydrogen phosphoric acid;hydric acidGenerator
Chemical FormulaH4NaO5P
Average Molecular Mass137.991 g/mol
Monoisotopic Mass137.969 g/mol
CAS Registry Number10049-21-5
IUPAC Namesodium hydrate dihydrogen phosphate
Traditional Namesodium hydrate dihydrogen phosphate
SMILESO.[Na+].OP(O)([O-])=O
InChI IdentifierInChI=1S/Na.H3O4P.H2O/c;1-5(2,3)4;/h;(H3,1,2,3,4);1H2/q+1;;/p-1
InChI KeyBBMHARZCALWXSL-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 DescriptorsNot Available
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
SpectraNot Available
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 IDDBSALT001971
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkMonosodium phosphate
Chemspider IDNot Available
ChEBI ID114249
PubChem Compound ID516949
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available