Cytidine-5′-triphosphate sodium salt

C9H15N3NaO14P3CAS 18423-42-2505.14 g/mol

Open in Covalent MOL file
HNNOOPO−OOPOOHOPOOHHOOHOHOHNNa+
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

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

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+]
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

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

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.

5′-CTP65-47-4Free acid Cytidine-5′-triphosphate disodium salt36051-68-0Salt

Similar compounds

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 Cytidine 5′-(tetrahydrogen triphosphate), 2′-deoxy-, sodium salt (1:2)102783-51-764 % similar Poly(I:C)24939-03-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook