Record Information
Version1.0
Creation date2010-04-08 22:12:38 UTC
Update date2015-07-20 23:32:18 UTC
Primary IDFDB016754
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAmmonium peroxydisulfate
DescriptionBleaching agent for food starch Ammonium persulfate (NH4)2S2O8 is a strong oxidizing agent. It is very soluble in cold water, a large fall of temperature accompanying solution. It is a radical initiator. It is used to etch copper on printed circuit boards as an alternative to ferric chloride solution. It is also used along with tetramethylethylenediamine to catalyze the polymerization of acrylamide in making a polyacrylamide gel.
CAS Number7727-54-0
Structure
Thumb
Synonyms
SynonymSource
Ammonium peroxydisulfatedb_source
Ammonium peroxydisulphateHMDB
Ammonium persulfatedb_source
Ammonium persulfate [UN1444] [Oxidizer]biospider
Ammonium persulfate, acsbiospider
Ammonium persulphateHMDB
Ammonium persulphate, acsHMDB
Diammonium [(sulfonatoperoxy)sulfonyl]oxidanidebiospider
Diammonium peroxodisulfatedb_source
Diammonium peroxodisulphatebiospider
Diammonium peroxydisulfatedb_source
Diammonium peroxydisulphatebiospider
Diammonium persulfatebiospider
Diammonium persulphateHMDB
Peroxydisulfuric acid (((HO)S(O)2)2O2), ammonium salt (1:2)biospider
Peroxydisulfuric acid (((HO)S(O)2)2O2), diammonium saltbiospider
Peroxydisulfuric acid, diammonium saltbiospider
Predicted Properties
PropertyValueSource
logP-0.93ChemAxon
pKa (Strongest Acidic)-3.5ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area127.2 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity25.11 m³·mol⁻¹ChemAxon
Polarizability12.32 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaH8N2O8S2
IUPAC nameO-[(sulfoperoxy)sulfonyl]oxidanol diamine
InChI IdentifierInChI=1S/2H3N.H2O8S2/c;;1-9(2,3)7-8-10(4,5)6/h2*1H3;(H,1,2,3)(H,4,5,6)
InChI KeyInChIKey=ROOXNKNUYICQNP-UHFFFAOYSA-N
Isomeric SMILES[NH4+].[NH4+].[O-]S(=O)(=O)OOS([O-])(=O)=O
Average Molecular Weight228
Monoisotopic Molecular Weight228
Classification
DescriptionThis compound belongs to the class of chemical entities known as non-metal peroxodisulfates. These are inorganic non-metallic compounds containing a peroxodisulfate as its largest oxoanion.
KingdomChemical entities
Super ClassInorganic compounds
ClassHomogeneous non-metal compounds
Sub ClassNon-metal oxoanionic compounds
Direct ParentNon-metal peroxodisulfates
Alternative Parents
Substituents
  • Non-metal peroxodisulfate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionH 3.53%; N 12.28%; O 56.09%; S 28.10%DFC
Melting Point120 °C (393 K) decomp.
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0090000000-2904bcd0be4d7b9007f4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-0090000000-2904bcd0be4d7b9007f4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-0090000000-2904bcd0be4d7b9007f4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0090000000-ebf638281f180e4e974cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0090000000-ebf638281f180e4e974cView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0090000000-ebf638281f180e4e974cView in MoNA
ChemSpider ID56400
ChEMBL IDCHEMBL2447905
KEGG Compound IDNot Available
Pubchem Compound ID62648
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB37638
CRC / DFC (Dictionary of Food Compounds) IDHVC94-C:KTB65-I
EAFUS ID181
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDAmmonium_peroxydisulfate
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
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference