5′-Xanthylic acid, sodium salt (1:2)

C10H11N4Na2O9PCAS 25899-70-1408.17 g/mol

Open in Covalent MOL file
O−PO−OOONNOHNOHNOHHONa+Na+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C10H11N4Na2O9P
Molar mass
408.17 g/mol
Exact mass
408.0059 Da
logP
-2.80Crippen estimate
Polar surface area
200.5 Ų
H-bond donors / acceptors
6 / 10
Rotatable bonds
4
Stereocentres
R, R, R, Sin 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
25899-70-1
SMILES
[O-]P([O-])(=O)OC[C@H]1O[C@@H](n2cnc3c(O)nc(O)nc23)[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

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

Names and synonyms

1 names
  • 5′-Xanthylic acid, disodium salt

Work with 5′-Xanthylic acid, 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

Disodium inosinate4691-65-077 % similar Disodium guanylate5550-12-968 % similar Adenosine 5′-monophosphate disodium4578-31-866 % similar Inosine 5′-diphosphate disodium salt54735-61-464 % similar Xanthosine146-80-563 % similar Disodium UMP3387-36-858 % similar Disodium 5′-cytidylate6757-06-857 % similar Trisodium adenosine 5′-diphosphate2092-65-157 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook