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: C10H15N5O10P2

Natural Isotopic Abundance Mass: 427.2011220000

Mono-Isotopic Molecular Masses:

  • C12N14: 427.029414749
  • C13N14: 437.062963127
  • C12N15: 432.014589215
  • C13N15: 437.062963127

InChI string: InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1/f/h18-19,21H,11H2

IUPAC: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid

PubChem Compound (CID): 6022
KEGG Compound ID: C00008
CAS Registry number: 58-64-0 84412-16-8
ChEBI: 16761
Beilstein Handbook Reference: 4-26-00-03629
EINECS: 200-392-5

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,