chempirical

Cytidine-5′-triphosphate sodium salt

C9H15N3NaO14P3CAS 18423-42-2505.14 g/mol

Open in Covalent MOL file
HNNOOPO−OOPOHOOPOOHOHOHOHOHNNa+
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C9H15N3NaO14P3
Molar mass
505.14 g/mol
Exact mass
504.9665 Da
logP
-2.35Crippen 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
18423-42-2
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+]
InChIKey
NJEUHKBZYZGEKA-IAIGYFSYSA-N
InChI
InChI=1S/C9H16N3O14P3.Na/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

Weigh it out

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

Names and synonyms

3 names
  • Cytidine 5′-(tetrahydrogen triphosphate), sodium salt (1:?)
  • Cytidine 5′-(tetrahydrogen triphosphate), sodium salt
  • Sodium cytidine triphosphate

Work with Cytidine-5′-triphosphate sodium 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 disodium salt36051-68-088 % similar Cytidine triphosphate65-47-480 % similar Trisodium cytidine 5′-diphosphate34393-59-478 % similar Polycytidylic acid30811-80-472 % similar Cytidine monophosphate63-37-672 % similar Cytidine diphosphate choline987-78-072 % similar Citicoline sodium33818-15-470 % similar Disodium 5′-cytidylate6757-06-870 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook