UTP
Athanor · official
C9H15N2O15P3 · 484.14 g/mol
IUPAC name: [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also called uridine triphosphate
Names and identifiers
- IUPAC name
- [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- Synonyms
- uridine triphosphate, uridine 5'-triphosphate, Uteplex
+ 35 more
DTXSID0041147, INS-316, UT0S826Z60, [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, Magnesium UTP, UTP, Magnesium, Triphosphate, Uridine, Mg UTP, Magnesium Uridine Triphosphate, Triphosphate, Magnesium Uridine, (((2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphate, RefChem:901473, DTXCID8021147, (((((((2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)phosphonic acid, 200-558-7, Uridine 5'-(tetrahydrogen triphosphate), 5'-UTP, Uridine 5'-triphosphoric acid, INS316, H4utp, uridine-5'-triphosphate, BRN 0071520, UTP;Uridine 5'-triphosphate, CHEMBL336296, ((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl tetrahydrogen triphosphate, uridine5'-triphosphate, EINECS 200-558-7, UNII-UT0S826Z60, uridintriphosphat, ara UTP, 3h-uridine triphosphate, Spectrum_001697, Diquafosol Impurity 42, Spectrum2_000525, Spectrum3_001596
- Molecular formula
- C9H15N2O15P3
- Empirical formula
- C9H15N2O15P3
- Molecular weight
- 484.14 g/mol
- Exact mass
- 483.96853
- CAS number
- 63-39-8
- PubChem CID
- 6133
- Canonical SMILES
- C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
- Isomeric SMILES
- C1=CN(C(=O)NC1=O)[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/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)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)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
- InChIKey
- PGAVKCOVUIYSFO-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
- 11 computed here · PubChem 15
- Rotatable bonds
- 8
- TPSA (Ų)
- 264.4 computed here · PubChem 259
- Formal charge
- 0
- XLogP3
- -5.8 PubChem
- Complexity
- 839 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
- C22.33%
- H3.12%
- N5.79%
- O49.57%
- P19.19%
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
- -2.5 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -0.89 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 4.39 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 484.14
- log P ≤ 5 (Crippen): -2.5
- H-bond donors ≤ 5: 7
- H-bond acceptors ≤ 10: 11
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: BOC Sciences, Alfa Chemistry, Quality Control Solutions (QCS Standards).
Always read the supplier’s safety data sheet before working with it.
Spectra
- 1H NMRHuman Metabolome Database (HMDB) (Bruker · D2O) · SpectraBase
- 13C NMRHuman Metabolome Database (HMDB) (Bruker · D2O) · SpectraBase
- 31P NMRSpectraBase
- MS-MSHuman Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Negative)
- 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) (ESI-QTOF · ESI · negative) · MassBank of North America (MoNA) (ESI-QTOF · ESI · negative) · MassBank of North America (MoNA) (ESI-QTOF · ESI · negative)
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.