chempirical

Deoxyadenosine 5′-monophosphate disodium salt

C10H12N5Na2O6PCAS 2922-74-9375.19 g/mol

Open in Covalent MOL file
H2NNNNNOHOPO−O−OONa+Na+
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C10H12N5Na2O6P
Molar mass
375.19 g/mol
Exact mass
375.0321 Da
logP
-1.60Crippen estimate
Polar surface area
165.8 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
4
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
2922-74-9
SMILES
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP([O-])([O-])=O)O1.[Na+].[Na+]
InChIKey
JEJLDDOIKBSLTI-OJSHLMAWSA-N
InChI
InChI=1S/C10H14N5O6P.2Na/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19;;/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19);;/t5-,6+,7+;;/m0../s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 5′-Adenylic acid, 2′-deoxy-, sodium salt (1:2)
  • Adenosine, 2′-deoxy-, 5′-(dihydrogen phosphate), disodium salt
  • 5′-Adenylic acid, 2′-deoxy-, disodium salt
  • Adenosine, 2′-deoxy-, 5′-phosphate, disodium salt

Work with Deoxyadenosine 5′-monophosphate 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′-(trihydrogen diphosphate), 2′-deoxy-, sodium salt (1:2)72003-83-974 % similar Deoxyadenosine monophosphate653-63-473 % similar Adenosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, disodium salt74299-50-673 % similar Adenosine 5′-monophosphate disodium4578-31-870 % similar Deoxyadenosine triphosphate1927-31-765 % similar Inosine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, trisodium salt95648-77-463 % similar Deoxyadenosine958-09-863 % similar Trisodium adenosine 5′-diphosphate2092-65-160 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook