Disodium inosinate

C10H11N4Na2O8PCAS 4691-65-0392.17 g/mol

Open in Covalent MOL file
O−PO−OOONNOHNNOHHONa+Na+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C10H11N4Na2O8P
Molar mass
392.17 g/mol
Exact mass
392.0110 Da
logP
-2.50Crippen estimate
Polar surface area
180.3 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
4
Stereocentres
R, R, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
4691-65-0
SMILES
[O-]P([O-])(=O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc23)[C@H](O)[C@@H]1O.[Na+].[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

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Names and synonyms

20 names · show all
  • 5′-Inosinic acid, sodium salt (1:2)
  • 5′-Inosinic acid, disodium salt
  • Disodium 5′-inosinate
  • Disodium inosine 5′-phosphate
  • Sodium inosinate
  • Inosine 5′-monophosphate disodium
  • Disodium IMP
  • IMP disodium salt
  • Disodium inosine 5′-monophosphate
  • Inosine 5′-monophosphoric acid disodium salt
  • IMP sodium salt
  • Sodium 5′-inosinate
  • Inosine 5′-monophosphate disodium salt
  • 5′-IMP di-Na salt
  • 5′-IMP disodium salt
  • Inosine monophosphate disodium salt
  • Disodium 5′-IMP
  • E 631
  • NSC 20263
  • E 631 (Food enhancement agent)

Work with Disodium inosinate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Inosinic acid131-99-7Free acid Polyinosinic acid30918-54-8Free acid Poly(I:C)24939-03-5Salt

Similar compounds

Inosine 5′-diphosphate disodium salt54735-61-482 % similar Adenosine 5′-monophosphate disodium4578-31-880 % similar 5′-Xanthylic acid, sodium salt (1:2)25899-70-177 % similar Trisodium adenosine 5′-diphosphate2092-65-168 % similar Disodium guanylate5550-12-965 % similar Adenosine 5'-monophosphate sodium salt13474-03-864 % similar Inosine58-63-962 % similar Adenosine 5′-(trihydrogen diphosphate), trilithium salt31008-64-762 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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