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: C9H12N2O6

Natural Isotopic Abundance Mass: 244.2013800000

Mono-Isotopic Molecular Masses:

  • C12N14: 244.069536128
  • C13N14: 253.099729668
  • C12N15: 246.063605915
  • C13N15: 253.099729668

InChI string: InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1/f/h10H

IUPAC: 1-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

PubChem Compound (CID): 6029
KEGG Compound ID: C00299
CAS Registry number: 12693-39-9 58-96-8 68184-15-6
ChEBI: 16704
EINECS: 200-407-5
NSC: 20256

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,