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Deoxyguanosine

Athanor · official

C10H13N5O4 · 267.24 g/mol

IUPAC name: 2-amino-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one

Also called dG

Nucleic acid partsDNA
Open in Athanor
The structure of Deoxyguanosine
Drawn from its SMILES with RDKit

Names and identifiers

IUPAC name
2-amino-9-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
Synonyms
dG, a-2'-deoxyguanosine, H58700
+ 1 more

2-AMINO-9-((2S,4S,5R)-4-HYDROXY-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL)-3,9-DIHYDRO-6H-PURIN-6-ONE

Molecular formula
C10H13N5O4
Empirical formula
C10H13N5O4
Molecular weight
267.24 g/mol
Exact mass
267.09675
CAS number
961-07-9
PubChem CID
135471523
Canonical SMILES
C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)O
Isomeric SMILES
C1[C@@H]([C@H](O[C@@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O
InChI
InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6-/m0/s1
InChIKey
YKBGVTZYEHREMT-JKUQZMGJSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms
19
Rings
3
Aromatic rings
2
Fraction sp³ carbons (Fsp3)
0.5
H-bond donors
4
H-bond acceptors
7 computed here · PubChem 6
Rotatable bonds
2
TPSA (Ų)
139.3 computed here · PubChem 135
Formal charge
0
XLogP3
-0.9 PubChem
Complexity
417 PubChem
Stereocenters
3 definedCIP: C3: R · C5: R · C18: S
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

  • C44.94%
  • H4.90%
  • N26.21%
  • O23.95%

Isotope pattern

100%267.09713%268.0991.6%269.101270.104

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
-1.66 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-0.67 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
3.67 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 267.25
  • log P ≤ 5 (Crippen): -1.66
  • H-bond donors ≤ 5: 4
  • H-bond acceptors ≤ 10: 7

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: AstaTech, Inc., Ambinter, LGC Standards.

Always read the supplier’s safety data sheet before working with it.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

  1. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  2. ·Literature on PubChem

Data last updated 2026-10-14.