GTP
Athanor · official
C10H16N5O14P3 · 523.18 g/mol
IUPAC name: [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
Also called guanosine triphosphate
Names and identifiers
- IUPAC name
- [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
- Synonyms
- guanosine triphosphate, GUANOSINE TRIPHOSPHATE, Guanosine-5'-triphosphate
+ 34 more
guanosine 5'-triphosphate, Guanosine 5'-(tetrahydrogen triphosphate), 5'-GTP, Guanosine 5'-triphosphoric acid, DTXSID30235328, 01WV7J708X, CHEBI:15996, Triphosphate, Guanosine, ({[({[(2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid, [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate, (((((((2R,3S,4R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)phosphonic acid, (((2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphate, ((2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate, [(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate, RefChem:144693, DTXCID30157819, (((2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) phosphono hydrogen phosphate, 201-647-3, H4gtp, (((2R,3S,4R,5R)-5-(2-Amino-6-oxo-1H-purin-9(6H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)triphosphoric acid, EINECS 201-647-3, BRN 1201437, D-Guanosine 5'-triphosphate, UNII-01WV7J708X, guanosintriphosphat, 1jlr, 1j2j, [3h]guanosine triphosphate, Guanosine 5''-triphosphate, Guanosine 5'-triphosphorate, orb65373, SCHEMBL44408, SCHEMBL44409, Guanosine triphosphate (6Cl)
- Molecular formula
- C10H16N5O14P3
- Empirical formula
- C10H16N5O14P3
- Molecular weight
- 523.18 g/mol
- Exact mass
- 522.99066
- CAS number
- 86-01-1
- PubChem CID
- 135398633
- Canonical SMILES
- C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
- Isomeric SMILES
- C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
- InChI
- InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
- InChIKey
- XKMLYUALXHKNFT-UUOKFMHZSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 32
- Rings
- 3
- Aromatic rings
- 2
- Fraction sp³ carbons (Fsp3)
- 0.5
- H-bond donors
- 8
- H-bond acceptors
- 13 computed here · PubChem 16
- Rotatable bonds
- 8
- TPSA (Ų)
- 299.1 computed here · PubChem 295
- Formal charge
- 0
- XLogP3
- -5.7 PubChem
- Complexity
- 927 PubChem
- Stereocenters
- 4 defined, 2 undefinedCIP: C9: R · C11: R · P14: undefined · P18: undefined · C26: S · C28: 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
- C22.96%
- H3.08%
- N13.39%
- O42.81%
- P17.76%
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
- -2.34 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -1.29 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 4.54 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 523.18
- log P ≤ 5 (Crippen): -2.34
- H-bond donors ≤ 5: 8
- H-bond acceptors ≤ 10: 13
Breaks 3 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: CymitQuimica, BOC Sciences, Pi Chemicals.
Always read the supplier’s safety data sheet before working with it.
Spectra
- 1H NMRHuman Metabolome Database (HMDB) (600 MHz · H2O) · Human Metabolome Database (HMDB) (Bruker · 600 MHz · Water)
- 13C NMRSpectraBase
- 31P NMRSpectraBase (Bruker HX-90)
- 1H-13C NMRHuman Metabolome Database (HMDB) (Bruker · 600 MHz · Water)
- MS-MSHuman Metabolome Database (HMDB) (Quattro_QQQ · Positive) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Quattro_QQQ · Positive) · Human Metabolome Database (HMDB) (Quattro_QQQ · Positive)
- LC-MSMassBank of North America (MoNA) (Thermo Q Exactive HF · LC-ESI-QFT · negative) · MassBank of North America (MoNA) (Agilent qTOF 6545 · LC-ESI-QTOF · negative) · MassBank of North America (MoNA) (Agilent qTOF 6545 · LC-ESI-QTOF · negative)
- 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 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.