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
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
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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 KeyROOXNKNUYICQNP-UHFFFAOYSA-N
Isomeric SMILESN.N.OS(=O)(=O)OOS(O)(=O)=O
Average Molecular Weight228.202
Monoisotopic Molecular Weight227.972206622
Classification
Description Belongs to the class of inorganic compounds known as non-metal peroxodisulfates. These are inorganic non-metallic compounds containing a peroxodisulfate as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal peroxodisulfates
Direct ParentNon-metal peroxodisulfates
Alternative Parents
Substituents
  • Non-metal peroxodisulfate
  • Inorganic oxide
  • Inorganic salt
Molecular FrameworkNot Available
External DescriptorsNot Available
Ontology
Disposition

Source:

Role

Biological role:

Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-0090000000-2904bcd0be4d7b9007f42016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-0090000000-2904bcd0be4d7b9007f42016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-0090000000-2904bcd0be4d7b9007f42016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-0090000000-ebf638281f180e4e974c2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-0090000000-ebf638281f180e4e974c2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-0090000000-ebf638281f180e4e974c2016-08-03View Spectrum
NMRNot Available
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
Food Biomarker OntologyNot Available
VMH 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
Processing...
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