chempirical

Cytidine-5′-triphosphate disodium salt

C9H14N3Na2O14P3CAS 36051-68-0527.12 g/mol

Open in Covalent MOL file
HNNOOPO−OOPO−OOPOOHOHOHOHOHNNa+Na+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C9H14N3Na2O14P3
Molar mass
527.12 g/mol
Exact mass
526.9484 Da
logP
-2.73Crippen estimate
Polar surface area
271.4 Ų
H-bond donors / acceptors
8 / 12
Rotatable bonds
8
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
36051-68-0
SMILES
N=c1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])(=O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)n1.[Na+].[Na+]
InChIKey
VTUZOQRNALBLGK-WFIJOQBCSA-N
InChI
InChI=1S/C9H16N3O14P3.2Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18);;/t4-,6-,7-,8-;;/m1../s1

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Names and synonyms

5 names
  • Cytidine 5′-(tetrahydrogen triphosphate), sodium salt (1:2)
  • Cytidine 5′-(tetrahydrogen triphosphate), disodium salt
  • NSC 20261
  • Cytidine triphosphate disodium salt
  • Disodium cytidine triphosphate

Work with Cytidine-5′-triphosphate 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

Cytidine-5′-triphosphate sodium salt18423-42-288 % similar Trisodium cytidine 5′-diphosphate34393-59-480 % similar Citicoline sodium33818-15-475 % similar Polycytidylic acid30811-80-474 % similar Cytidine monophosphate63-37-674 % similar Cytidine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, sodium salt (1:2)102783-51-773 % similar Disodium 5′-cytidylate6757-06-872 % similar Cytidine triphosphate65-47-472 % similar

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

Elsewhere

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