Record Information
Version1.0
Creation date2010-04-08 22:14:43 UTC
Update date2015-07-21 06:41:03 UTC
Primary IDFDB019972
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameDisodium inosinate
DescriptionFlavour enhancer As it is a fairly expensive additive, it usually is not used independently of glutamic acid; if disodium inosinate is present in a list of ingredients but MSG does not appear to be, it is possible that glutamic acid is provided as part of another ingredient or is naturally occurring in another ingredient like tomatoes, Parmesan cheese or yeast extract. It is often added to foods in conjunction with disodium guanylate; the combination is known as disodium 5'-ribonucleotides.; Disodium inosinate (E631), chemical formula C10H11N2Na2O8P, is the disodium salt of inosinic acid. It is a food additive often found in instant noodles, potato chips, and a variety of other snacks. It is used as a flavor enhancer, in synergy with monosodium glutamate (also known as MSG; the sodium salt of glutamic acid) to provide the umami taste. It is mainly found in animals like pigs and fish.
CAS Number4691-65-0
Structure
Thumb
Synonyms
SynonymSource
Disodium inosinic acidGenerator
Inosinate, sodiumMeSH
Inosine monophosphateMeSH
Inosinic acidsMeSH
Monophosphate, ribosylhypoxanthineMeSH
Ribosylhypoxanthine monophosphateMeSH
Sodium inosinateMeSH
Acid, inosinicMeSH
Monophosphate, inosineMeSH
Acids, inosinicMeSH
IMPMeSH
Inosinic acidMeSH
5'-Imp disodium saltbiospider
5'-IMP-Na2biospider
5'-Inosinic acid, disodium saltbiospider
5'-Inosinic acid, sodium salt (1:2)biospider
Disodium 5'-inosinatebiospider
disodium 5'-O-phosphonatoinosinebiospider
Disodium 5'-ribonucleotidebiospider
Disodium impbiospider
Disodium inosinatedb_source
Disodium inosine 5'-monophosphatebiospider
Disodium inosine 5'-phosphatebiospider
Disodium inosine-5'-monophosphatebiospider
E631db_source
Imp disodium saltbiospider
Imp sodium saltbiospider
Inosin-5'-monophosphate disodiumbiospider
Inosine 5'-monophosphate disodiumbiospider
Inosine 5'-monophosphate disodium salt hydratebiospider
Inosine 5'IMP disodium saltbiospider
Inosine-5'-monophosphate disodiumbiospider
Inosine-5'-monophosphate disodium salt octahydratebiospider
Inosine-5'-monophosphoric acid disodium saltbiospider
Inosine-5'-phosphatebiospider
Ribotidebiospider
Sodium 5'-inosinatebiospider
Predicted Properties
PropertyValueSource
Water Solubility3.6 g/LALOGPS
logP-2.1ALOGPS
logP-1.9ChemAxon
logS-2ALOGPS
pKa (Strongest Acidic)1.24ChemAxon
pKa (Strongest Basic)-0.14ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count10ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area180.28 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity71.35 m³·mol⁻¹ChemAxon
Polarizability29.59 ųChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaC10H13N4O8P
IUPAC name{[3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid
InChI IdentifierInChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)
InChI KeyGRSZFWQUAKGDAV-UHFFFAOYSA-N
Isomeric SMILESOC1C(COP(O)(O)=O)OC(C1O)N1C=NC2=C1N=CN=C2O
Average Molecular Weight348.206
Monoisotopic Molecular Weight348.047099924
Classification
Description belongs to the class of organic compounds known as purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPurine nucleotides
Sub ClassPurine ribonucleotides
Direct ParentPurine ribonucleoside monophosphates
Alternative Parents
Substituents
  • Purine ribonucleoside monophosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • 6-oxopurine
  • Hypoxanthine
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Imidazopyrimidine
  • Purine
  • Monoalkyl phosphate
  • Pyrimidone
  • Monosaccharide
  • N-substituted imidazole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Alkyl phosphate
  • Pyrimidine
  • Tetrahydrofuran
  • Azole
  • Vinylogous amide
  • Heteroaromatic compound
  • Imidazole
  • Secondary alcohol
  • 1,2-diol
  • Organoheterocyclic compound
  • Azacycle
  • Oxacycle
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic nitrogen compound
  • Alcohol
  • Organic oxygen compound
  • Organonitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointMp 175 dec. (as monohydrate)DFC
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 GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot AvailableView in JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot AvailableView in JSpectraViewer
1D NMR13C NMR SpectrumNot AvailableView in JSpectraViewer
ChemSpider IDNot Available
ChEMBL IDNot Available
KEGG Compound IDNot Available
Pubchem Compound ID20819
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDNot Available
CRC / DFC (Dictionary of Food Compounds) IDHGS25-J:MHD58-I
EAFUS ID1056
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Flavornet IDNot Available
GoodScent IDrw1037351
SuperScent IDNot Available
Wikipedia IDDisodium_inosinate
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