chempirical

Cytidine triphosphate

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
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

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

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Names and synonyms

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

Work with Cytidine triphosphate

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

Polycytidylic acid30811-80-481 % similar Cytidine monophosphate63-37-681 % similar Cytidine-5′-triphosphate sodium salt18423-42-280 % similar Uridine triphosphate63-39-872 % similar Cytidine-5′-triphosphate disodium salt36051-68-072 % similar Uridine diphosphate58-98-069 % similar Disodium 5′-cytidylate6757-06-865 % similar Cytidine diphosphate choline987-78-064 % similar

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

Elsewhere

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