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:


View large 3D structure

Molecular Formula: C10H14N5O6P

Natural Isotopic Abundance Mass: 331.2218210000

Mono-Isotopic Molecular Masses:

  • C12N14: 331.068169718
  • C13N14: 341.101718096
  • C12N15: 336.053344184
  • C13N15: 346.086892562

InChI string: InChI=1S/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1

IUPAC: [(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxyphosphonic acid

PubChem Compound (CID): 12599
KEGG Compound ID: C00360
ChemIDplus: 000653634
CAS Registry number: 653-63-4 75688-15-2 87578-08-3 29576-96-3 2922-74-9
EINECS: 211-503-1
PDB Compound ID: A3A D5M DA

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,