chempirical

Adenosine 5′-monophosphate disodium

C10H12N5Na2O7PCAS 4578-31-8391.19 g/mol

Open in Covalent MOL file
H2NNNNNOOPO−O−OOHHONa+Na+
AlcoholEtherPhosphatePrimary amine

Properties

Molecular formula
C10H12N5Na2O7P
Molar mass
391.19 g/mol
Exact mass
391.0270 Da
logP
-2.62Crippen estimate
Polar surface area
186.1 Ų
H-bond donors / acceptors
5 / 9
Rotatable bonds
4
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
4578-31-8
SMILES
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O.[Na+].[Na+]
InChIKey
HAUFAAQVZNHGCU-IDIVVRGQSA-N
InChI
InChI=1S/C10H14N5O7P.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20);;/t4-,6-,7-,10-;;/m1../s1

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Names and synonyms

12 names
  • 5′-Adenylic acid, sodium salt (1:2)
  • 5′-Adenylic acid, disodium salt
  • Disodium AMP
  • AMP disodium salt
  • Adenylic acid disodium salt
  • Disodium 5′-AMP
  • 5′-AMP disodium salt
  • Adenosine 5′-phosphate disodium salt
  • Disodium adenylate
  • Disodium 9-(β-D-ribofuranosyl)adenine 5′-monophosphate
  • Disodium adenosine 5′-phosphate
  • Adenosine 5′-monophosphate disodium salt

Work with Adenosine 5′-monophosphate 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.

Adenosine 5'-monophosphate monohydrate18422-05-4Hydrate Adenosine monophosphate61-19-8Free acid Vidarabine phosphate29984-33-6Free acid, diastereomer Adenosine 5'-monophosphate sodium salt13474-03-8Salt

Similar compounds

Trisodium adenosine 5′-diphosphate2092-65-185 % similar Disodium inosinate4691-65-080 % similar Adenosine 5′-(trihydrogen diphosphate), trilithium salt31008-64-777 % similar Sodium adenosine 5′-diphosphate20398-34-975 % similar Adenosine-5′-diphosphate disodium salt16178-48-674 % similar ATP disodium987-65-573 % similar 3′,5′-cAMP sodium salt37839-81-971 % similar Deoxyadenosine 5′-monophosphate disodium salt2922-74-970 % similar

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

Same formula

Deoxyguanosine 5′-monophosphate disodium salt33430-61-4

Elsewhere

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