BMRB

Biological Magnetic Resonance Data Bank


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

2'-Deoxyuridine

Graphical representations:

2'-Deoxyuridine image

Molecular Formula: C9 H12 N2 O5

Natural Isotopic Abundance Mass: 228.20198

Mono-Isotopic Molecular Masses:

  • C12N14: 228.0746215061
  • C13N14: 237.1048150463
  • C12N15: 230.0686912925
  • C13N15: 239.0988848327

InCHi String:

canonical SMILES: C1C(C(OC1N2C=CC(=O)NC2=O)CO)O

isomeric SMILES: C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O

PUBCHEM iupac NAME: PUBCHEM iupac SYSTEMATIC NAME
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

PUBCHEM iupac TRADITIONAL NAME
1-[(2R,4S,5R)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]pyrimidine-2,4-quinone

PUBCHEM iupac OPENEYE NAME
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

PUBCHEM iupac CAS NAME
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]pyrimidine-2,4-dione

PubChem Substance (SID):   85165120   14798096   24893831
PubChem Compound (CID):   13712
KEGG: Compound ID   C00526
CAS Registry IDs:   951-78-0
PDB Chemical Component   DUR
Miscellaneous Databases and IDs:   Thomson Pharma 00021708   NCGC NCGC00142492-01   ZINC ZINC00155696   Sigma-Aldrich D5412_SIGMA   ChemSpider 13118

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.