chempirical

Trisodium cytidine 5′-diphosphate

C9H12N3Na3O11P2CAS 34393-59-4469.12 g/mol

Open in Covalent MOL file
HNNOOPO−OOPO−O−OOHHOOHNNa+Na+Na+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C9H12N3Na3O11P2
Molar mass
469.12 g/mol
Exact mass
468.9640 Da
logP
-3.23Crippen estimate
Polar surface area
224.9 Ų
H-bond donors / acceptors
7 / 10
Rotatable bonds
6
Stereocentres
R, R, S, Rin SMILES atom order

Identifiers

CAS number
34393-59-4
SMILES
N=c1ccn([C@@H]2O[C@H](COP([O-])(=O)OP([O-])([O-])=O)[C@@H](O)[C@H]2O)c(O)n1.[Na+].[Na+].[Na+]
InChIKey
CGVGCZOANPQAQT-LLWADOMFSA-N
InChI
InChI=1S/C9H15N3O11P2.3Na/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H2,10,11,15)(H2,16,17,18);;;/t4-,6-,7-,8-;;;/m1.../s1

Weigh it out

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

Names and synonyms

5 names
  • Cytidine 5′-(trihydrogen diphosphate), sodium salt (1:3)
  • Cytidine 5′-(trihydrogen diphosphate), trisodium salt
  • Cytidine 5′-(trihydrogen pyrophosphate), trisodium salt
  • Cytidine diphosphate trisodium salt
  • Cytidine 5′-diphosphate trisodium salt

Work with Trisodium cytidine 5′-diphosphate

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 5′-cytidylate6757-06-885 % similar Cytidine-5′-triphosphate disodium salt36051-68-080 % similar Cytidine-5′-triphosphate sodium salt18423-42-278 % similar Citicoline sodium33818-15-475 % similar Cytidine 5′-(trihydrogen diphosphate), 2′-deoxy-, trisodium salt, hydrate151151-32-569 % similar Cytidine diphosphate choline987-78-067 % similar Polycytidylic acid30811-80-467 % similar Cytidine monophosphate63-37-667 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook