Disodium 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 WHO:

DISODIUM 5'-GUANYLATE [show]

General Information

Chemical name	Disodium guanylate
E No.	E 627
INS.	627
CAS number	5550-12-9
Group	No
Component of the group	Group I, Additives (Group I) Ribonucleotides (E 626 - 635)

From webgate.ec.europa.eu

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