Biological Magnetic Resonance Data Bank

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


Graphical representations:


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Molecular Formula: C9H13N2O9P

Natural Isotopic Abundance Mass: 324.1812810000

Mono-Isotopic Molecular Masses:

  • C12N14: 324.035866537
  • C13N14: 333.066060077
  • C12N15: 326.029936323
  • C13N15: 333.066060077

InChI string: InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1/f/h10,16-17H

IUPAC: [(2S,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid

PubChem Compound (CID): 6030
KEGG Compound ID: C00105
ChemIDplus: 000058979
CAS Registry number: 81795-92-8 58-97-9 53624-79-6
EINECS: 200-408-0
Beilstein Handbook Reference: 5-24-06-00173

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,