Adenosine 5′-(trihydrogen diphosphate), 2′-deoxy-, sodium salt (1:2)

C10H13N5Na2O9P2CAS 72003-83-9455.17 g/mol

Open in Covalent MOL file
H2NNNNNOHOPO−OOPO−OHOONa+Na+
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C10H13N5Na2O9P2
Molar mass
455.17 g/mol
Exact mass
454.9984 Da
logP
-1.48Crippen estimate
Polar surface area
212.4 Ų
H-bond donors / acceptors
5 / 10
Rotatable bonds
6
Stereocentres
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
72003-83-9
SMILES
Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O)O1.[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

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

Names and synonyms

1 names
  • Adenosine 5′-(trihydrogen diphosphate), 2′-deoxy-, disodium salt

Work with Adenosine 5′-(trihydrogen diphosphate), 2′-deoxy-, sodium salt (1:2)

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′-(tetrahydrogen triphosphate), 2′-deoxy-, disodium salt74299-50-681 % similar Deoxyadenosine 5′-monophosphate disodium salt2922-74-974 % similar Adenosine-5′-diphosphate disodium salt16178-48-673 % similar Deoxyadenosine monophosphate653-63-468 % similar Adenosine 5'-diphosphate dipotassium salt114702-55-566 % similar Deoxyadenosine triphosphate1927-31-763 % similar Sodium 2′-deoxyguanosine 5′-(tetrahydrogen triphosphate) (3:1)93919-41-661 % similar Adenosine 5'-monophosphate sodium salt13474-03-861 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook