Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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2_deoxyguanosine synonyms

961-07-9; Deoxyguanosine


Graphical representations:


View large 3D structure

Molecular Formula: C10H13N5O4

Natural Isotopic Abundance Mass: 267.2413200000

Mono-Isotopic Molecular Masses:

  • C12N14: 267.096753932
  • C13N14: 277.13030231
  • C12N15: 272.081928398
  • C13N15: 277.13030231

InChI string: InChI=1/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/f/h13H,11H2

IUPAC: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one

PubChem Compound (CID): 187790
KEGG Compound ID: C00330
CAS Registry number: 38559-49-8
ChEBI: 17172

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,