Biological Magnetic Resonance Data Bank

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

6-Chloropurine Riboside

Graphical representations:


View large 3D structure

Molecular Formula: C10H11N4O4Cl

Natural Isotopic Abundance Mass: 286.67174

Mono-Isotopic Molecular Masses:

  • C12N14: 286.0468825723
  • C13N14: 296.0804309503
  • C12N15: 290.0350221451
  • C13N15: 300.0685705231

InChI string: InChI=1S/C10H11ClN4O4/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/t4-,6-,7-,10-/m1/s1

PubChem Compound (CID): 93003
CAS Registry number: 5399-87-1
MMCD: cq_10838
MDL number: MFCD00005738
Beilstein Registry Number: 40573
CAS Registry number: 2004-06-0 5399-87-1
Sigma-Aldrich: C8276_SIGMA
EINECS: 226-438-4
ZINC: ZINC00241780
ChemIDplus: 005399871

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,