CTP
Athanor · official
C9H16N3O14P3 · 483.16 g/mol
IUPAC name: [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also called cytidine triphosphate
Names and identifiers
- IUPAC name
- [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- Synonyms
- cytidine triphosphate, Cytidine triphosphate, Cytidine 5'-(tetrahydrogen triphosphate)
+ 34 more
Cytidine 5'-triphosphate, 5'-CTP, Deoxycytosine triphosphate, Cytidine 3'-triphosphate, Cytidine 5'-triphosphoric acid, CHEBI:17677, K0118UX80T, DTXSID70889324, ({[({[(2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid, (((((((2R,3S,4R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)phosphonic acid, CRPPP, Triphosphate, Cytidine, RefChem:581421, DTXCID101028587, 200-611-4, cytidine-5'-triphosphate, H4ctp, BRN 0071190, Cystetine Triphosphate, [[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, MFCD00047493, Cytidine, mono(tetrahydrogen triphosphate) (ester), Brain-1 protein, mouse, EINECS 200-611-4, Rubella E1 envelope protein, Cytidine mono, UNII-K0118UX80T, 1wvc, Cytidine5'-(tetrahydrogentriphosphate), CTP 100mM solution, 2ad5, Cytidine 5-triphosphate, Cytidine 5' Triphosphate, bmse000277
- Molecular formula
- C9H16N3O14P3
- Empirical formula
- C9H16N3O14P3
- Molecular weight
- 483.16 g/mol
- Exact mass
- 482.98451
- CAS number
- 65-47-4
- PubChem CID
- 6176
- Canonical SMILES
- C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
- Isomeric SMILES
- C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
- 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
- InChIKey
- PCDQPRRSZKQHHS-XVFCMESISA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 29
- Rings
- 2
- Aromatic rings
- 1
- Fraction sp³ carbons (Fsp3)
- 0.56
- H-bond donors
- 7
- H-bond acceptors
- 12 computed here · PubChem 14
- Rotatable bonds
- 8
- TPSA (Ų)
- 270.4 computed here · PubChem 268
- Formal charge
- 0
- XLogP3
- -5.6 PubChem
- Complexity
- 855 PubChem
- Stereocenters
- 4 defined, 2 undefinedCIP: C6: R · C8: R · P11: undefined · P15: undefined · C23: S · C25: R
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C22.37%
- H3.34%
- N8.70%
- O46.36%
- P19.23%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- -2.21 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -1.07 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 4.43 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 483.16
- log P ≤ 5 (Crippen): -2.21
- H-bond donors ≤ 5: 7
- H-bond acceptors ≤ 10: 12
Breaks 2 of the four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
No GHS hazard classification was found in the sources.
Safety data sheets on the supplier’s page: RR Scientific, Smolecule, AstaTech, Inc..
Always read the supplier’s safety data sheet before working with it.
Spectra
- 1H NMRHuman Metabolome Database (HMDB) (Varian · 600 MHz · Water) · Human Metabolome Database (HMDB) (Bruker · D2O) · SpectraBase
- 13C NMRHuman Metabolome Database (HMDB) (Bruker · D2O) · SpectraBase
- 31P NMRSpectraBase (Bruker HX-90)
- 1H-1H NMRHuman Metabolome Database (HMDB)
- 1H-13C NMRHuman Metabolome Database (HMDB) (Bruker · 600 MHz · Water)
- MS-MSHuman Metabolome Database (HMDB) (QTOF · negative) · Human Metabolome Database (HMDB) (QTOF · negative) · Human Metabolome Database (HMDB) (QTOF · negative) · Human Metabolome Database (HMDB) (Quattro_QQQ · Positive) · Human Metabolome Database (HMDB) (Quattro_QQQ · Positive) · Human Metabolome Database (HMDB) (Quattro_QQQ · Positive)
- LC-MSMassBank Europe (impact II · LC-ESI-QTOF · POSITIVE) · MassBank Europe (impact II · LC-ESI-QTOF · POSITIVE) · MassBank Europe (impact II · LC-ESI-QTOF · POSITIVE) · MassBank Europe (impact II · LC-ESI-QTOF · POSITIVE) · MassBank Europe (impact II · LC-ESI-QTOF · POSITIVE) · MassBank Europe (impact II · LC-ESI-QTOF · POSITIVE)
- Other MSMassBank of North America (MoNA) (TQD, Waters · Flow-injection QqQ/MS · ESI) · MassBank of North America (MoNA) (TQD, Waters · Flow-injection QqQ/MS · ESI) · MassBank of North America (MoNA) (TQD, Waters · Flow-injection QqQ/MS · ESI)
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [2]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [3]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- [4]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.