ContaminantDB: Sodium phosphate, tribasic

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 01:45:19 UTC

Update Date

2016-11-09 01:09:21 UTC

Accession Number

CHEM004443

Identification

Common Name

Sodium phosphate, tribasic

Class

Small Molecule

Description

Contaminant Sources

Clean Air Act Chemicals
EAFUS Chemicals
FooDB Chemicals
HPV EPA Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Na3po4	ChEBI
Phosphoric acid trisodium salt	ChEBI
Sodium orthophosphate	ChEBI
Sodium phosphate	ChEBI
Sodium phosphate, tribasic	ChEBI
Tertiaeres natriumphosphat(V)	ChEBI
Tertiary sodium phosphate	ChEBI
Tribasic sodium orthophosphate	ChEBI
Tribasic sodium phosphate	ChEBI
Trinatriumphosphat	ChEBI
Phosphate trisodium salt	Generator
Sodium orthophosphoric acid	Generator
Sodium phosphoric acid	Generator
Sodium phosphoric acid, tribasic	Generator
Tertiary sodium phosphoric acid	Generator
Tribasic sodium orthophosphoric acid	Generator
Tribasic sodium phosphoric acid	Generator
Trisodium phosphoric acid	Generator
Sodium phosphoric acid (na3po4)	Generator
Neutral sodium hydrogen phosphate	MeSH
Phosphoric acid, disodium salt	MeSH
Phosphoric acid, disodium salt, 32P-labeled	MeSH
Phosphoric acid, disodium salt, heptahydrate	MeSH
Sodium dihydrogen orthophosphate	MeSH
Sodium phosphate monobasic anhydrous	MeSH
Sodium phosphate, dibasic	MeSH
Sodium phosphate, tribasic, dodecahydrate	MeSH
Trisodium phosphate dodecahydrate	MeSH
Phosphoric acid, disodium salt, anhydrous	MeSH
Phosphoric acid, monosodium salt	MeSH
Phosphoric acid, monosodium salt, anhydrous	MeSH
Sodium hydrophosphate	MeSH
Sodium phosphate, dibasic (anhydrous)	MeSH
Sodium phosphate, disodium salt	MeSH
Disodium acid phosphate	MeSH
Monosodium dihydrogen phosphate	MeSH
Phosphoric acid, disodium salt, dodecahydrate	MeSH
Phosphoric acid, sodium salt	MeSH
Phosphoric acid, trisodium salt	MeSH
Phosphoric acid, trisodium salt , 32P-labeled	MeSH
Sodium biphosphate	MeSH
Sodium dihydrogen phosphate	MeSH
Sodium phosphate, monobasic anhydrous	MeSH
Dibasic sodium phosphate, anhydrous	MeSH
Disodium hydrogen phosphate	MeSH
Disodium hydrogen phosphate anhydrous	MeSH
Phosphoric acid, sodium (2:3) salt	MeSH
Phosphoric acid, trisodium salt , dodecahydrate	MeSH
Sodium phosphate, monobasic	MeSH

Chemical Formula

Na₃O₄P

Average Molecular Mass

163.941 g/mol

Monoisotopic Mass

163.923 g/mol

CAS Registry Number

7601-54-9

IUPAC Name

trisodium phosphate

Traditional Name

trisodium phosphate

SMILES

[Na+].[Na+].[Na+].[O-]P([O-])([O-])=O

InChI Identifier

InChI=1S/3Na.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3

InChI Key

RYFMWSXOAZQYPI-UHFFFAOYSA-K

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.

Kingdom

Inorganic compounds

Super Class

Mixed metal/non-metal compounds

Class

Alkali metal oxoanionic compounds

Sub Class

Alkali metal phosphates

Direct Parent

Alkali metal phosphates

Alternative Parents

Substituents

Alkali metal phosphate
Inorganic sodium salt
Inorganic oxide
Inorganic salt

Molecular Framework

Not Available

External Descriptors

sodium phosphate (CHEBI:37583 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
logP	-1	ChemAxon
pKa (Strongest Acidic)	1.8	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	86.25 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	11.29 m³·mol⁻¹	ChemAxon
Polarizability	4.93 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-0900000000-05fc18bba1620cc9731f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-03di-0900000000-05fc18bba1620cc9731f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-03di-0900000000-05fc18bba1620cc9731f	Spectrum

Toxicity Profile

Route of Exposure

Not Available

Mechanism of Toxicity

Not Available

Metabolism

Not Available

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

Not Available

Uses/Sources

Not Available

Minimum Risk Level

Not Available

Health Effects

Not Available

Symptoms

Not Available

Treatment

Not Available

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

HMDB0303418

FooDB ID

FDB013349

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Sodium_phosphates

Chemspider ID

22665

ChEBI ID

37583

PubChem Compound ID

Not Available

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Sodium phosphate, tribasic (CHEM004443)

Structure for CHEM004443: Sodium phosphate, tribasic