dGMP
Athanor · official
C10H14N5O7P · 347.22 g/mol
IUPAC name: [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
Also called deoxyguanosine monophosphate
Names and identifiers
- IUPAC name
- [(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
- Synonyms
- deoxyguanosine monophosphate, 2'-deoxyguanosine 5'-monophosphate, Deoxy-GMP
+ 35 more
2'-Deoxyguanosine 5'-phosphate, Deoxyguanosine 5'-monophosphate, 2'-Deoxy-GMP, 2'-dGMP, Deoxyguanosine 5'-phosphate, 5'-Guanylic acid, 2'-deoxy-, 2'-Deoxyguanosine-5'-Monophosphate, 2'-dG-5'-MP, 7EAM4TG712, CHEBI:16192, DTXSID20896947, NSC-82626, {[(2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}phosphonic acid, (((2R,3S,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl)methoxy)phosphonic acid, RefChem:6727, DTXCID701326381, ((2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl)methyl dihydrogen phosphate, 212-988-2, Deoxyguanylate, Deoxyguanylic acid, 2'-Deoxy-5'-guanylic acid, Deoxyguanosine monophosphate, 5'-DGMP, 5'-Deoxyguanylic acid, Deoxy GMP, 2'-Deoxy-5'-GMP, 2'-Deoxyguanosine 5'MP, deoxyguanosine-phosphate, 2'-Deoxyguanosine 5'-phosphoric acid, Guanosine, 2'-deoxy-, 5'-phosphoric acid, Guanosine, 2'-deoxy-, 5'-(dihydrogen phosphate), 5'-Guanylic acid, 2'-deoxy- (9CI), Guanosine, 2'-deoxy-, 5'-phosphate (6CI), Guanosine, 2'-deoxy-, 5'-(dihydrogen phosphate) (8CI), 6H-purin-6-one, 2-amino-9-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3,9-dihydro-
- Molecular formula
- C10H14N5O7P
- Empirical formula
- C10H14N5O7P
- Molecular weight
- 347.22 g/mol
- Exact mass
- 347.06308
- CAS number
- 902-04-5
- PubChem CID
- 135398597
- Canonical SMILES
- C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O
- Isomeric SMILES
- C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)O)O
- InChI
- InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
- InChIKey
- LTFMZDNNPPEQNG-KVQBGUIXSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 23
- Rings
- 3
- Aromatic rings
- 2
- Fraction sp³ carbons (Fsp3)
- 0.5
- H-bond donors
- 5
- H-bond acceptors
- 8 computed here · PubChem 9
- Rotatable bonds
- 4
- TPSA (Ų)
- 185.8 computed here · PubChem 182
- Formal charge
- 0
- XLogP3
- -3 PubChem
- Complexity
- 568 PubChem
- Stereocenters
- 3 definedCIP: C9: R · C11: S · C13: 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
- C34.59%
- H4.06%
- N20.17%
- O32.25%
- P8.92%
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
- -1.54 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -1.05 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 3.89 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 347.22
- log P ≤ 5 (Crippen): -1.54
- H-bond donors ≤ 5: 5
- H-bond acceptors ≤ 10: 8
Passes all 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: Achemtek, Quality Control Solutions (QCS Standards), Molport.
Always read the supplier’s safety data sheet before working with it.
Spectra
- 1H NMRHuman Metabolome Database (HMDB) (Bruker · 600 MHz · Water) · Human Metabolome Database (HMDB) (Bruker · D2O)
- 1H-13C NMRHuman Metabolome Database (HMDB) (Bruker · 600 MHz · Water)
- MS-MSHuman Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Negative) · Human Metabolome Database (HMDB) (Quattro_QQQ · Positive)
- LC-MSMassBank Europe (Agilent 6530 QTOF · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Agilent 6530 QTOF · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Agilent 6530 QTOF · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Agilent 6530 Q-TOF LC/MS · LC-ESI-QTOF · NEGATIVE) · MassBank Europe (Agilent 6530 Q-TOF LC/MS · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Agilent 6530 Q-TOF LC/MS · 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)
- ATR-IRSpectraBase (Bio-Rad FTS · ATR-Neat (DuraSamplIR II))
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]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- [3]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [4]SpectraBase · Linked only · 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.