chempirical

5′-CTP

C9H16N3O14P3CAS 65-47-4483.16 g/mol

Open in Covalent MOL file
HNNOOPOHOOPOHOOPOOHOHOHOHOHN
AlcoholEtherPhenolPhosphate

Properties

Molecular formula
C9H16N3O14P3
Molar mass
483.16 g/mol
Exact mass
482.9845 Da
Melting point
215–218 °C
logP
-1.97Crippen 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
65-47-4
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
InChIKey
PCDQPRRSZKQHHS-XVFCMESISA-N
InChI
InChI=1S/C9H16N3O14P3/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

6 names
  • 5'-Ctp
  • Cytidine triphosphate
  • Cytidine 5′-(tetrahydrogen triphosphate)
  • CTP
  • Cytidine 5′-triphosphate
  • Cytidine, mono(tetrahydrogen triphosphate) (ester)

Work with 5′-CTP

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.

Cytidine-5′-triphosphate disodium salt36051-68-0Salt Cytidine-5′-triphosphate sodium salt18423-42-2Salt

Similar compounds

Polycytidylic acid30811-80-481 % similar Cytidine monophosphate63-37-681 % similar Uridine triphosphate63-39-872 % similar Uridine diphosphate58-98-069 % similar Disodium 5′-cytidylate6757-06-865 % similar Cytidine diphosphate choline987-78-064 % similar Diquafosol59985-21-664 % similar Poly(I:C)24939-03-564 % similar

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

Elsewhere

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