chempirical

ATP disodium

C10H14N5Na2O13P3CAS 987-65-5551.14 g/mol

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

Properties

Molecular formula
C10H14N5Na2O13P3
Molar mass
551.14 g/mol
Exact mass
550.9596 Da
logP
-2.39Crippen estimate
Polar surface area
279.1 Ų
H-bond donors / acceptors
7 / 13
Rotatable bonds
8
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. Search the SDS library

Identifiers

CAS number
987-65-5
SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP([O-])(=O)OP([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.

Weigh it out

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Names and synonyms

16 names · show all
  • Adenosine 5′-(tetrahydrogen triphosphate), sodium salt (1:2)
  • Adenosine 5′-(tetrahydrogen triphosphate), disodium salt
  • ATP disodium salt
  • Disodium ATP
  • Adenosine 5′-triphosphate disodium salt
  • Disodium adenosine 5′-triphosphate
  • Sodium ATP
  • Disodium dihydrogen ATP
  • Disodium adenosine triphosphate
  • Adenosine triphosphate disodium salt
  • NSC 20268
  • Disodium adenosine-5′-triphosphoric acid
  • Adenosine triphosphate disodium
  • Disodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] phosphate
  • Disodium [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • Adetphos

Work with ATP disodium

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.

5′-ATP56-65-5Free acid

Similar compounds

Sodium adenosine 5′-diphosphate20398-34-997 % similar Adenosine-5′-diphosphate disodium salt16178-48-681 % similar Trisodium adenosine 5′-diphosphate2092-65-180 % similar Vidarabine phosphate29984-33-675 % similar Adenosine monophosphate61-19-875 % similar Adenosine 5′-(trihydrogen diphosphate), trilithium salt31008-64-774 % similar Adenosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, disodium salt74299-50-673 % similar Adenosine 5'-monophosphate sodium salt13474-03-873 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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