Inosine 5′-diphosphate disodium salt

C10H12N4Na2O11P2CAS 54735-61-4472.15 g/mol

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

Properties

Molecular formula
C10H12N4Na2O11P2
Molar mass
472.15 g/mol
Exact mass
471.9773 Da
logP
-2.38Crippen estimate
Polar surface area
226.8 Ų
H-bond donors / acceptors
6 / 11
Rotatable bonds
6
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
54735-61-4
SMILES
[O-]P([O-])(=O)OP(=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

3 names
  • Inosine 5′-(trihydrogen diphosphate), sodium salt (1:2)
  • Inosine 5′-(trihydrogen diphosphate), disodium salt
  • IDP disodium salt

Work with Inosine 5′-diphosphate disodium salt

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

Similar compounds

Disodium inosinate4691-65-082 % similar Inosinic acid131-99-768 % similar Polyinosinic acid30918-54-868 % similar Inosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, trisodium salt95648-77-467 % similar Trisodium adenosine 5′-diphosphate2092-65-166 % similar Adenosine 5′-monophosphate disodium4578-31-866 % similar 5′-Xanthylic acid, sodium salt (1:2)25899-70-164 % similar Adenosine diphosphate58-64-062 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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