Record Information
Version1.0
Creation date2010-04-08 22:10:41 UTC
Update date2018-05-29 01:04:49 UTC
Primary IDFDB013382
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameSodium diphosphate (Na4(P2O7))
DescriptionIt is used in foods as a buffering agent, pH control agent, alkalinity source, dispersing agent, protein modifier, coagulant and sequestrant
CAS Number7722-88-5
Structure
Thumb
Synonyms
SynonymSource
Diphosphoric acid, tetrasodium saltChEBI
Natrium pyrophosphatChEBI
Pyrophosphoric acid tetrasodium saltChEBI
Sodium pyrophosphateChEBI
Tetrasodium pyrophosphateChEBI
TSPPChEBI
Diphosphate, tetrasodium saltGenerator
Sodium diphosphoric acid (na4(P2O7))Generator
Pyrophosphate tetrasodium saltGenerator
Sodium pyrophosphoric acidGenerator
Tetrasodium pyrophosphoric acidGenerator
Anhydrous sodium pyrophosphateMeSH
Tetrasodium pyrophosphate, decahydrateMeSH
Disodium pyrophosphateMeSH
Sodium diphosphateMeSH
Tetrasodium pyrophosphate, 32p2-labeled CPDMeSH
Trisodium pyrophosphateMeSH
Anhydrous tetrasodium pyrophosphatebiospider
Diphosphoric acid, sodium salt (1:4)biospider
Phosphotexbiospider
Sodium diphosphate tetrabasicbiospider
Sodium pyrophosphate tetrabasicbiospider
Tetrasodium diphosphate, 9CIdb_source
Tetrasodium pyrophosphate, 8CIdb_source
Tetrasodium pyrophosphate, anhydridebiospider
Tetrasodium pyrophosphate, anhydrousbiospider
Predicted Properties
PropertyValueSource
logP-1.4ChemAxon
pKa (Strongest Acidic)1.7ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area135.61 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity21.04 m³·mol⁻¹ChemAxon
Polarizability9.03 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaNa4O7P2
IUPAC nametetrasodium (phosphonatooxy)phosphonate
InChI IdentifierInChI=1S/4Na.H4O7P2/c;;;;1-8(2,3)7-9(4,5)6/h;;;;(H2,1,2,3)(H2,4,5,6)/q4*+1;/p-4
InChI KeyFQENQNTWSFEDLI-UHFFFAOYSA-J
Isomeric SMILES[Na+].[Na+].[Na+].[Na+].[O-]P([O-])(=O)OP([O-])([O-])=O
Average Molecular Weight265.9024
Monoisotopic Molecular Weight265.871004078
Classification
DescriptionThis compound belongs to the class of chemical entities known as alkali metal pyrophosphates. These are inorganic compounds in which the largest oxoanion is pyrophosphate, and in which the heaviest atom not in an oxoanion is an alkali metal.
KingdomChemical entities
Super ClassInorganic compounds
ClassMixed metal/non-metal compounds
Sub ClassAlkali metal oxoanionic compounds
Direct ParentAlkali metal pyrophosphates
Alternative Parents
Substituents
  • Alkali metal pyrophosphate
  • Inorganic sodium salt
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External Descriptors
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNa 34.58%; O 42.12%; P 23.30%DFC
Melting PointMp 993° (985°)DFC
Boiling PointNot Available
Experimental Water Solubility81.4 mg/mL at 25 oCMERCK INDEX (1989)
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
SpectraNot Available
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID24403
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHTW34-S:HTW34-S
EAFUS ID3472
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1034701
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
odorless
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference