Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


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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/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1/f/h11H2

IUPAC: (2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

PubChem Compound (CID): 60961
KEGG Compound ID: C00212
CAS Registry number: 46946-45-6 46969-16-8 58-61-7
ChEBI: 16335
EINECS: 200-389-9
CCRIS: 2557
NSC: 7652

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,