Calcium inosinate

Relevant Data

Food Additives Approved by WHO:

CALCIUM 5'-INOSINATE [show]

General Information

Chemical name	Calcium inosinate
E No.	E 633
INS.	633
CAS number	38966-29-9; 3387-37-9 (1:1 SALT)
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	22841445
IUPAC Name	calcium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphate
InChI	InChI=1S/C10H13N4O8P.Ca/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/p-2/t4-,6-,7-,10-;/m1./s1
InChI Key	ZLHWLLPKQPKYJD-MCDZGGTQSA-L
Canonical SMILES	C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])[O-])O)O.[Ca+2]
Molecular Formula	C10H11CaN4O8P · nH2O
Wikipedia	calcium 5'-inosinate

From Pubchem

Computed Properties

Property Name	Property Value
Molecular Weight	386.27
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 A I A A A g 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	385.994
Exact Mass	385.994
Compound Is Canonicalized	True
Formal Charge	0
Heavy Atom Count	24
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	2

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	Pyrimidones N-substituted imidazoles 6-oxopurines Monosaccharide phosphates Pentose phosphates Hypoxanthines Glycosylamines Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organic zwitterions Organic calcium salts 1,2-diols Alkyl phosphates Vinylogous amides Oxolanes Oxacyclic compounds Secondary alcohols Azacyclic compounds Heteroaromatic compounds
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 - Monosaccharide - N-substituted imidazole - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Azole - Vinylogous amide - Imidazole - Heteroaromatic compound - Oxolane - 1,2-diol - Secondary alcohol - Organic calcium salt - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Alcohol - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - 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