SODIUM PHOSPHATE, MONOBASIC (CED0000858)

Record Information
Version1.0
Creation Date2016-05-19 02:26:47 UTC
Update Date2026-05-14 19:06:04 UTC
Accession NumberCHEM007520
Identification
Common NameSODIUM PHOSPHATE, MONOBASIC
ClassSmall Molecule
Description
SODIUM PHOSPHATE, MONOBASIC (H2NaO4P) is an inorganic compound with an average molecular weight of 119.98 g/mol. SODIUM PHOSPHATE, MONOBASIC belongs to the alkali metal phosphates, a subclass of alkali metal oxoanionic compounds within the inorganic compounds. This compound serves various industrial roles and uses, including acting as a pH regulating agent, pharmaceutical, fragrance, corrosion inhibitor, humectant, biocide, flavouring and nutrient, drier, emulsifier, leavening agent, anti-caking agent, and buffer (PMC8778994). It is found in or released from ten recorded sources. These sources include healthcare, pharmaceuticals and veterinary products, specifically IV solution additives, drugs for constipation, and unclassified therapeutic products. In the context of food, food processing and cookware, it is associated with the processing of fish, cellar tools, and the preparation of vinegar. Additionally, it is found in building and construction materials such as fencing and ceilings, as well as electrical and electronic equipment, including contacts and antennas. Recorded exposure routes for the compound include oral, rectal, respiratory, intravenous, intrathecal, intravesical, dental, irrigation, and extracorporeal.
Contaminant TypeNot Available
Chemical Structure
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
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot 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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted GC-MSPredicted GC-MS Spectrumsplash10-014i-2900000000-bb8469bf6f114d34339aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-4900000000-bab66d5ac1c7568d95faNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00e9-5900000000-cbf85bf10186a2eb87ffNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-001i-9100000000-8f5a2a50f31d07b9eb29Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00or-9700000000-827cc1ea4d7fa068aa43Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9000000000-8e75f3fe6cbb103be529Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-004i-9000000000-04c1d51660b1dbfb8951Not AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
253Drugs for constipationHealthcare, pharmaceuticals & veterinary productsNot Available
281IV solution additivesHealthcare, pharmaceuticals & veterinary productsNot Available
409Unclassified therapeutic productsHealthcare, pharmaceuticals & veterinary productsNot Available
495CeilingsBuilding & ConstructionNot Available
496FencingBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
512ContactsElectrical & Electronic EquipmentNot Available
543Cellar ToolsFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
589Life BuoysMarine, shipping & aquacultureNot Available
592Marine Propulsion Or SteeringMarine, shipping & aquacultureNot Available
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
635ButtonsTextiles, leather & furnishingsNot Available
Pathways
1 pathway
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureType IV secretion-like conjugative transfer relaxase protein TraIB1LRJ1Escherichia coli (strain SMS-3-5 / SECEC)Predicted (SEA)0.0778492
Click to view 3D structureIsopentenyl-diphosphate Delta-isomerase 1O35760Rattus norvegicusPredicted (SEA)0.544945
Click to view 3D structureFarnesyl pyrophosphate synthaseP05369Rattus norvegicusPredicted (SEA)0.544945
Click to view 3D structureInositol 1,4,5-trisphosphate-gated calcium channel ITPR3Q8WN95Bos taurusPredicted (SEA)1.01204
Click to view 3D structurePhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2Q6P549Mus musculusPredicted (SEA)0.700643
Type II inositol 1,4,5-trisphosphate 5-phosphatase structureClick to view 3D structureType II inositol 1,4,5-trisphosphate 5-phosphataseP32019HumansPredicted (SEA)0.700643
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)1210.4
Click to view 3D structureInositol-trisphosphate 3-kinase AP17105Rattus norvegicusPredicted (SEA)1.08989
Click to view 3D structureInositol polyphosphate-5-phosphatase AQ14642HumansPredicted (SEA)0.856341
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)83.2208
1-deoxy-D-xylulose 5-phosphate reductoisomerase structureClick to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomeraseP45568Escherichia coli (strain K12)Predicted (SEA)7.62922
Click to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomeraseP9WNS1Mycobacterium tuberculosisPredicted (SEA)7.16213
Fructose-bisphosphate aldolase class 2 structureClick to view 3D structureFructose-bisphosphate aldolase class 2P0AB71Escherichia coli (strain K12)Predicted (SEA)4.67095
Mandelate racemase structureClick to view 3D structureMandelate racemaseP11444Pseudomonas putidaPredicted (SEA)48.1108
Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3 structureClick to view 3D structureInositol 1,4,5-trisphosphate-gated calcium channel ITPR3Q14573HumansPredicted (SEA)1.32344
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)4020.52
Click to view 3D structureType 1 InsP3 receptor isoform S2P79248Sus scrofaPredicted (SEA)1.24559
Click to view 3D structureTriosephosphate isomeraseP00939Oryctolagus cuniculusPredicted (SEA)1.32344
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)3803.56
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)3591.11
Click to view 3D structure1-deoxy-D-xylulose-5-phosphate synthaseB7UJP3Escherichia coli O127:H6 (strain E2348/69 / EPEC)Predicted (SEA)7.94062
Click to view 3D structurePhosphoheptose isomeraseQ93UJ2Burkholderia pseudomallei (strain K96243)Predicted (SEA)2.80257
Click to view 3D structureInositol 1,4,5-trisphosphate binding proteinQ62688Rattus norvegicusPredicted (SEA)1.47914
Click to view 3D structure1-deoxy-D-xylulose 5-phosphate reductoisomeraseW8T2T2Escherichia coliPredicted (SEA)1.94623
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)4723.27
Concentrations
Not Available
External Links
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 References