Adenosine-5′-diphosphate disodium salt

C10H13N5Na2O10P2CAS 16178-48-6471.17 g/mol

Open in Covalent MOL file
H2NNNNNOOPO−OOPO−OOHOHHONa+Na+
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C10H13N5Na2O10P2
Molar mass
471.17 g/mol
Exact mass
470.9933 Da
logP
-2.51Crippen estimate
Polar surface area
232.6 Ų
H-bond donors / acceptors
6 / 11
Rotatable bonds
6
Stereocentres
R, R, S, Rin 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
16178-48-6
SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)O)[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

9 names
  • Adenosine 5′-(trihydrogen diphosphate), sodium salt (1:2)
  • Adenosine 5′-(trihydrogen diphosphate), disodium salt
  • Adenosine-5′-(trihydrogen pyrophosphate), disodium salt
  • ADP disodium salt
  • Disodium ADP
  • ADP disodium
  • Disodium 5′-ADP
  • Trinosin S
  • Disodium adenosine 5′-diphosphate

Work with Adenosine-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

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.

Adenosine diphosphate58-64-0Free acid Trisodium adenosine 5′-diphosphate2092-65-1Salt Sodium adenosine 5′-diphosphate20398-34-9Salt Adenosine 5'-diphosphate dipotassium salt114702-55-5Salt Adenosine 5′-(trihydrogen diphosphate), trilithium salt31008-64-7Salt

Similar compounds

Adenosine 5'-monophosphate sodium salt13474-03-885 % similar ATP disodium987-65-581 % similar Adenosine 5′-monophosphate disodium4578-31-874 % similar Adenosine 5′-(trihydrogen diphosphate), 2′-deoxy-, sodium salt (1:2)72003-83-973 % similar 3′,5′-cAMP sodium salt37839-81-972 % similar Inosine-5'-triphosphate trisodium salt35908-31-771 % similar Vidarabine phosphate29984-33-668 % similar Adenosine monophosphate61-19-868 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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