Calcium 5'-inosinate
PubChem CID
135565141
Structure
Molecular Formula
Synonyms
- Calcium 5'-inosinate
- Calcium inosinate
- 3387-37-9
- Ins No.633
- Calcium inosine-5'-monophosphate
Molecular Weight
386.27 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Parent Compound
Component Compounds
Dates
- Create:2019-01-15
- Modify:2025-01-18
Chemical Structure Depiction
3D Conformer of Parent
IUPAC Condensed
P-rIno.Ca+2
Sequence
N
IUPAC
5'-phosphono-inosine calcium salt
calcium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
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
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
ZLHWLLPKQPKYJD-MCDZGGTQSA-L
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
C1=NC2=C(C(=O)N1)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])[O-])O)O.[Ca+2]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H11CaN4O8P
Computed by PubChem 2.2 (PubChem release 2024.11.20)
3387-37-9
38966-29-9
- Calcium 5'-inosinate
- Calcium inosinate
- 3387-37-9
- Ins No.633
- Calcium inosine-5'-monophosphate
- Inosinic acid, calcium salt
- INS-633
- UNII-DE2I245H9C
- DE2I245H9C
- 5'-Inosinic acid, calcium salt (1:1)
- E-633
- calcium;[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl phosphate
- 38966-29-9
- Calcium 5-inosinate
- inosine monophosphate calcium
- 5'-Inosinicacid,calcium salt
- SCHEMBL1030877
- Calcium 5'-O-phosphonatoinosine
- DTXSID00628642
- Q725037
- Calcium ((2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxy-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl phosphate
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
386.27 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
10
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
385.9940412 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
385.9940412 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
181 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
24
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
543
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
4
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Odourless, colourless or white crystals or powder
Sparingly soluble in water
Between 7,0 and 8,0 (0,05 % solution)
Maximum absorption of a 20 mg/l solution in 0,01N HCl at 250 nm
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Parent, Connectivity Count
Same Parent, Stereo Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
JECFA Functional Classes
Food Additives -> FLAVOUR_ENHANCER;
Chemical Name
CALCIUM 5'-INOSINATE
Evaluation Year
1985
ADI
NOT SPECIFIED
Comments
Report
Tox Monograph
Food additives
Food Additives -> FLAVOUR_ENHANCER; -> JECFA Functional Classes
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=ZLHWLLPKQPKYJD-MCDZGGTQSA-L
- ChemIDplusCalcium 5'-inosinatehttps://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0003387379ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxCalcium 5'-O-phosphonatoinosinehttps://comptox.epa.gov/dashboard/DTXSID00628642CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linkingCALCIUM 5'-INOSINATEhttps://gsrs.ncats.nih.gov/ginas/app/beta/substances/DE2I245H9C
- EU Food Improvement AgentsCALCIUM INOSINATEhttp://data.europa.eu/eli/reg/2012/231/2024-04-23
- Joint FAO/WHO Expert Committee on Food Additives (JECFA)LICENSEPermission from WHO is not required for the use of WHO materials issued under the Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Intergovernmental Organization (CC BY-NC-SA 3.0 IGO) licence.https://www.who.int/about/policies/publishing/copyrightCALCIUM 5'-INOSINATEhttps://apps.who.int/food-additives-contaminants-jecfa-database/Home/Chemical/83
- Wikidatacalcium 5'-inosinatehttps://www.wikidata.org/wiki/Q725037
- WikipediaCalcium inosinatehttps://en.wikipedia.org/wiki/Calcium_inosinate
- PubChem
- PATENTSCOPE (WIPO)SID 387766745https://pubchem.ncbi.nlm.nih.gov/substance/387766745
CONTENTS