DIPOTASSIUM 5'-GUANYLATE

Relevant Data

Food Additives Approved by European Union:

Dipotassium guanylate [show]

General Information

Synonyms:	POTASSIUM 5'-GUANYLATE
Chemical Names:	DIPOTASSIUM GUANOSINE-5'-MONOPHOSPHATE
CAS number:	3254-39-5
INS:	628
Functional Class:	Food Additives FLAVOUR_ENHANCER

From apps.who.int

Evaluations

Evaluation year:	1985
ADI:	NOT SPECIFIED
Meeting:	29
Specs Code:	N
Comments:	Group ADI for guanylic acid and its calcium, disodium and dipotassium salts
Report:	TRS 733-JECFA 29/25
Tox Monograph:	NOT PREPARED
Specification:	COMPENDIUM ADDENDUM 9/FNP 52 Add.9/192 (METALS LIMITS) (2001). R; FAO JECFA Monographs 1 vol.1/483

From apps.who.int

Computed Descriptors

2D Structure
CID	22841446
IUPAC Name	dipotassium;[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
InChI	InChI=1S/C10H14N5O8P.2K/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	BCQFRUIIFOQGFI-LGVAUZIVSA-L
Canonical SMILES	C1=NC2=C(N1C3C(C(C(O3)COP(=O)([O-])[O-])O)O)NC(=NC2=O)N.[K+].[K+]
Molecular Formula	C10H12K2N5O8P
Wikipedia	dipotassium 5'-guanylate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	439.403
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 A I A Y 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	438.97
Exact Mass	438.97
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	6-oxopurines Monosaccharide phosphates Aminopyrimidines and derivatives Glycosylamines Heteroaromatic compounds Pyrimidones N-substituted imidazoles Pentose phosphates Primary amines Azacyclic compounds Organic potassium salts Organic zwitterions Alkyl phosphates Vinylogous amides Oxolanes 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 - Hypoxanthine - Monosaccharide phosphate - Pentose monosaccharide - Imidazopyrimidine - Purine - Aminopyrimidine - Pyrimidone - Alkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Pyrimidine - N-substituted imidazole - Monosaccharide - Azole - Heteroaromatic compound - Imidazole - Oxolane - Vinylogous amide - Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Azacycle - Organic alkali metal salt - Primary amine - Organic potassium salt - Organonitrogen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organic salt - Organic zwitterion - Amine - 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