chempirical

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

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+]
InChIKey
DPNIKGAPKODBKF-IDIVVRGQSA-N
InChI
InChI=1S/C10H15N5O10P2.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;/t4-,6-,7-,10-;;/m1../s1

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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

Similar compounds

Adenosine 5'-diphosphate dipotassium salt114702-55-590 % similar Amp sodium salt13474-03-885 % similar Sodium adenosine 5′-diphosphate20398-34-983 % similar Trisodium adenosine 5′-diphosphate2092-65-182 % similar Atp disodium987-65-581 % similar Adenosine 5′-(trihydrogen diphosphate), trilithium salt31008-64-775 % similar Adenosine 5′-monophosphate disodium4578-31-874 % similar Adenosine 5′-(trihydrogen diphosphate), 2′-deoxy-, sodium salt (1:2)72003-83-973 % similar

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

Elsewhere

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