DISODIUM 5'-GUANYLATE

Relevant Data

Food Additives Approved in the United States

DISODIUM GUANYLATE [show][hide]

Mainterm DISODIUM GUANYLATE

Doc Type ASP

CAS number 5550-12-9

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Food Additives Approved by European Union:

Disodium guanylate [show]

General Information

Synonyms:	SODIUM 5'-GUANYLATE
Chemical Names:	DISODIUM GUANOSINE 5'-MONOPHOSPHATE
CAS number:	5550-12-9
INS:	627
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.1/495

From apps.who.int

GSFA Provisions for DISODIUM 5'-GUANYLATE

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 XS36,Note XS92,Note XS312,Note XS292,Note XS191,Note XS95,Note XS190,Note XS165,Note 95,Note XS315
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	21712
IUPAC Name	disodium;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChI	InChI=1S/C10H14N5O8P.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/t3-,5-,6-,9-;;/m1../s1
InChI Key	PVBRXXAAPNGWGE-LGVAUZIVSA-L
Canonical SMILES	C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)NC(=NC2=O)N.[Na+].[Na+]
Molecular Formula	C10H12N5Na2O8P · nH2O (n = ca. 7)
Wikipedia	disodium 5'-guanylate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	407.186
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	3
Complexity	586.0
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 A 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	207.0
Monoisotopic Mass	407.022
Exact Mass	407.022
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	26
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 Aminopyrimidines and derivatives Glycosylamines Heteroaromatic compounds Tetrahydrofurans Pyrimidones N-substituted imidazoles Pentose phosphates Organic sodium salts Primary amines Azacyclic compounds Organic zwitterions Alkyl phosphates Vinylogous amides Oxacyclic compounds Secondary alcohols 1,2-diols 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 - Pentose monosaccharide - Hypoxanthine - Monosaccharide phosphate - Purine - Imidazopyrimidine - Pyrimidone - Aminopyrimidine - Monosaccharide - N-substituted imidazole - Alkyl phosphate - Pyrimidine - Organic phosphoric acid derivative - Phosphoric acid ester - Vinylogous amide - Tetrahydrofuran - Heteroaromatic compound - Azole - Imidazole - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Organic alkali metal salt - Organoheterocyclic compound - Organic salt - Amine - Organic sodium salt - Alcohol - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic zwitterion - Primary amine - Organonitrogen compound - Organooxygen compound - 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