Showing Compound Disodium inosinate (FDB019972)

Record Information

Version

1.0

Creation date

2010-04-08 22:14:43 UTC

Update date

2025-11-19 02:27:06 UTC

Primary ID

FDB019972

Secondary Accession Numbers

Not Available

Chemical Information

FooDB Name

Disodium inosinate

Description

Flavour 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 Number

4691-65-0

Structure

MOL SDF PDB SMILES InChI

Synonyms

Synonym	Source
Disodium inosinic acid	Generator
Inosinate, sodium	MeSH
Inosine monophosphate	MeSH
Inosinic acids	MeSH
Monophosphate, ribosylhypoxanthine	MeSH
Ribosylhypoxanthine monophosphate	MeSH
Sodium inosinate	MeSH
Acid, inosinic	MeSH
Monophosphate, inosine	MeSH
Acids, inosinic	MeSH
IMP	MeSH
Inosinic acid	MeSH
5'-Imp disodium salt	biospider
5'-IMP-Na2	biospider
5'-Inosinic acid, disodium salt	biospider
5'-Inosinic acid, sodium salt (1:2)	biospider
Disodium 5'-inosinate	biospider
disodium 5'-O-phosphonatoinosine	biospider
Disodium 5'-ribonucleotide	biospider
Disodium imp	biospider
Disodium inosinate	db_source
Disodium inosine 5'-monophosphate	biospider
Disodium inosine 5'-phosphate	biospider
Disodium inosine-5'-monophosphate	biospider
E631	db_source
Imp disodium salt	biospider
Imp sodium salt	biospider
Inosin-5'-monophosphate disodium	biospider
Inosine 5'-monophosphate disodium	biospider
Inosine 5'-monophosphate disodium salt hydrate	biospider
Inosine 5'IMP disodium salt	biospider
Inosine-5'-monophosphate disodium	biospider
Inosine-5'-monophosphate disodium salt octahydrate	biospider
Inosine-5'-monophosphoric acid disodium salt	biospider
Inosine-5'-phosphate	biospider
Ribotide	biospider
Sodium 5'-inosinate	biospider

Predicted Properties

Property	Value	Source
Water Solubility	3.6 g/L	ALOGPS
logP	-2.1	ALOGPS
logP	-1.9	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	1.24	ChemAxon
pKa (Strongest Basic)	-0.14	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	180.28 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	71.35 m³·mol⁻¹	ChemAxon
Polarizability	29.59 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Chemical Formula

C10H13N4O8P

IUPAC name

{[3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)oxolan-2-yl]methoxy}phosphonic acid

InChI Identifier

InChI=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 Key

GRSZFWQUAKGDAV-UHFFFAOYSA-N

Isomeric SMILES

OC1C(COP(O)(O)=O)OC(C1O)N1C=NC2=C1N=CN=C2O

Average Molecular Weight

348.206

Monoisotopic Molecular Weight

348.047099924

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.

Kingdom

Organic compounds

Super Class

Nucleosides, nucleotides, and analogues

Class

Purine nucleotides

Sub Class

Purine ribonucleotides

Direct Parent

Purine 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 Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Ontology

No ontology term

Physico-Chemical Properties

Physico-Chemical Properties - Experimental

Property	Value	Reference
Physical state	Not Available
Physical Description	Not Available
Mass Composition	Not Available
Melting Point	Mp 175 dec. (as monohydrate)	DFC
Boiling Point	Not Available
Experimental Water Solubility	Not Available
Experimental logP	Not Available
Experimental pKa	Not Available
Isoelectric point	Not Available
Charge	Not Available
Optical Rotation	Not Available
Spectroscopic UV Data	Not Available
Density	Not Available
Refractive Index	Not Available

Spectra

EI-MS/GC-MS

Type	Description	Splash Key	View
Predicted GC-MS	Disodium inosinate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	splash10-0002-9703000000-149c82773414493fc765	Spectrum
Predicted GC-MS	Disodium inosinate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_1_1, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_1_2, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_1_3, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_1_4, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_2_1, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_2_2, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_2_3, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_2_4, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_2_5, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_2_6, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_2_7, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_3_1, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_3_2, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_3_3, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_3_4, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_3_5, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_3_6, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TMS_3_7, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TBDMS_1_1, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TBDMS_1_2, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TBDMS_1_3, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TBDMS_1_4, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Disodium inosinate, TBDMS_2_1, Predicted GC-MS Spectrum - 70eV, Positive	Not Available	Spectrum

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-000i-0914000000-fe81fe30e43d229c79a5	2018-04-06	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-000i-0900000000-df389b1c4e469ff8da0b	2018-04-06	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000i-1900000000-d7d0088b8f83abc6245b	2018-04-06	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-002k-6709000000-ce46acad125ffe35325e	2018-04-06	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-002r-9800000000-8d6fa7c859e2e0e1a69b	2018-04-06	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9100000000-a7986af1b0c70533c2f1	2018-04-06	View Spectrum

NMR

Not Available

External Links

ChemSpider ID

775

ChEMBL ID

Not Available

KEGG Compound ID

Not Available

Pubchem Compound ID

20819

Pubchem Substance ID

Not Available

ChEBI ID

Not Available

Phenol-Explorer ID

Not Available

DrugBank ID

Not Available

HMDB ID

Not Available

CRC / DFC (Dictionary of Food Compounds) ID

HGS25-J:MHD58-I

EAFUS ID

1056

Dr. Duke ID

Not Available

BIGG ID

Not Available

KNApSAcK ID

Not Available

HET ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

Flavornet ID

Not Available

GoodScent ID

rw1037351

SuperScent ID

Not Available

Wikipedia ID

Disodium_inosinate

Phenol-Explorer Metabolite ID

Not Available

Duplicate IDS

Not Available

Old DFC IDS

Not Available

Associated Foods

Food	Content Range	Average	Reference
Food			Reference

Biological Effects and Interactions

Health Effects / Bioactivities

Not Available

Enzymes

Not Available

Pathways

Not Available

Metabolism

Not Available

Biosynthesis

Not Available

Organoleptic Properties

Flavours

Flavor	Citations
odorless	The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.

Files

MSDS

Not Available

References

Synthesis Reference

Not Available

General Reference

Not Available

Content Reference