BMRB

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:

6-Chloropurine riboside image

Molecular Formula: C10 H11 N4 O4 Cl

Natural Isotopic Abundance Mass: 286.67174

Mono-Isotopic Molecular Masses:

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

InCHi String:

Canonical SMILES: C1=NC2=C(C(=N1)Cl)N=CN2C3C(C(C(O3)CO)O)O

Isomeric SMILES: C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

PUBCHEM iupac NAME
(2R,3R,4S,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

PUBCHEM iupac TRADITIONAL NAME
(2R,3R,4S,5R)-2-(6-chloropurin-9-yl)-5-methylol-tetrahydrofuran-3,4-diol

PUBCHEM iupac OPENEYE NAME
(2R,3R,4S,5R)-2-(6-chloropurin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

PUBCHEM iupac CAS NAME
(2R,3R,4S,5R)-2-(6-chloro-9-purinyl)-5-(hydroxymethyl)oxolane-3,4-diol

PUBCHEM iupac SYSTEMATIC NAME
(2R,3R,4S,5R)-2-(6-chloranylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

PubChem Substance (SID):   24893040   669943   103525156
PubChem Compound (CID):   93003
KEGG: Compound ID   n/a
CAS Registry IDs:   2004-06-0   5399-87-1
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 5399-87-1   MMCD cq_10838   MDL number MFCD00005738   Beilstein Registry Number 40573   Sigma-Aldrich C8276_SIGMA   EINECS 226-438-4   ZINC ZINC00241780   ChemIDplus 005399871   ChEMBL CHEMBL397974

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.