DISODIUM 5'-INOSINATE

Relevant Data

Food Additives Approved in the United States

DISODIUM INOSINATE [show][hide]

Mainterm DISODIUM INOSINATE

Doc Type ASP

CAS number 4691-65-0

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Food Additives Approved by European Union:

Disodium inosinate [show]

General Information

Synonyms:	SODIUM 5'-INOSINATE
Chemical Names:	DISODIUM INOSINE-5'-MONOPHOSPHATE
CAS number:	4691-65-0
FEMA number:	3669
INS:	631
Functional Class:	Food Additives FLAVOUR_ENHANCER

From apps.who.int

Evaluations

Evaluation year:	1993
ADI:	NOT SPECIFIED
Meeting:	41
Specs Code:	R
Report:	TRS 837-JECFA 41/13
Tox Monograph:	FAS 32-JECFA 41/67
Specification:	COMPENDIUM ADDENDUM 9/FNP 52 Add.9/192 (METALS LIMITS) (2001). R; FAO JECFA Monographs 1 vol.1/499

From apps.who.int

GSFA Provisions for DISODIUM 5'-INOSINATE

Number	Food Category	Max Level	Notes
14.1.5	Coffee, coffee substitutes, tea, herbal infusions, and other hot cereal and grain beverages, excluding cocoa	GMP	Note 201
09.2.4	Cooked and/or fried fish and fish products, including mollusks, crustaceans, and echinoderms	GMP	Note 312
06.4.2	Dried pastas and noodles and like products	GMP	Note 256
04.2.2.7	Fermented vegetable (including mushrooms and fungi, roots and tubers, pulses and legumes, and aloe vera) and seaweed products, excluding fermented soybean products of food categories 06.8.6, 06.8.7, 12.9.1, 12.9.2.1 and 12.9.2.3	GMP	Note 279
08.1	Fresh meat, poultry, and game	GMP	Note 16
09.2.2	Frozen battered fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms	GMP	Note 309,Note XS166
09.2.1	Frozen fish, fish fillets, and fish products, including mollusks, crustaceans, and echinoderms	GMP	Note XS315,Note XS312,Note XS165,Note XS92,Note XS95,Note XS190,Note XS292,Note XS36,Note XS191,Note 95
09.2.3	Frozen minced and creamed fish products, including mollusks, crustaceans, and echinoderms	GMP	Note 311
09.2.5	Smoked, dried, fermented, and/or salted fish and fish products, including mollusks, crustaceans, and echinoderms	GMP	Note 29

From www.fao.org

Computed Descriptors

2D Structure
CID	20819
IUPAC Name	disodium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate
InChI	InChI=1S/C10H13N4O8P.2Na/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);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
InChI Key	AANLCWYVVNBGEE-IDIVVRGQSA-L
Canonical SMILES	C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Na+].[Na+]
Molecular Formula	C10H11N4Na2O8P · H2O
Wikipedia	disodium 5'-inosinate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	392.171
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Complexity	544.0
CACTVS Substructure Key Fingerprint	A A A D c c B z v D I A A A A A A A A A A A A A A A A A A W J A A A A g A A A A A A A A A E A B g A A A H g A Q C C A A C B z h l g Y F s B f M F x C o Q Q d x d I C A g C 0 X E K A B U I G o V E C D W A p A y C A e Q I A P A A L T A G D w M A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = =
Topological Polar Surface Area	181.0
Monoisotopic Mass	392.011
Exact Mass	392.011
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	25
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Isotope Atom Count	0
Covalently-Bonded Unit Count	3

From Pubchem

Taxonomic Classification

Kingdom	Organic compounds
Superclass	Nucleosides, nucleotides, and analogues
Class	Purine nucleotides
Subclass	Purine ribonucleotides
Intermediate Tree Nodes	Not available
Direct Parent	Purine ribonucleoside monophosphates
Alternative Parents	Organopnictogen compounds 6-oxopurines Monosaccharide phosphates Glycosylamines Heteroaromatic compounds Tetrahydrofurans Pyrimidones N-substituted imidazoles Pentose phosphates Organic sodium salts 1,2-diols Azacyclic compounds Organic zwitterions Alkyl phosphates Vinylogous amides Oxacyclic compounds Secondary alcohols Organonitrogen compounds Hypoxanthines Hydrocarbon derivatives Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Purine ribonucleoside monophosphate - Pentose phosphate - Pentose-5-phosphate - Glycosyl compound - N-glycosyl compound - 6-oxopurine - Hypoxanthine - Monosaccharide phosphate - Imidazopyrimidine - Purine - Pyrimidone - N-substituted imidazole - Organic phosphoric acid derivative - Monosaccharide - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Heteroaromatic compound - Imidazole - Tetrahydrofuran - Azole - Vinylogous amide - 1,2-diol - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Organic alkali metal salt - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic zwitterion - Alcohol - Organic sodium salt - Aromatic heteropolycyclic compound
Description	This compound 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.

From ClassyFire