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: C4H10NO6P

Natural Isotopic Abundance Mass: 199.099061

Mono-Isotopic Molecular Masses:

  • C12N14: 199.0245735688
  • C13N14: 203.03799292
  • C12N15: 200.021608462
  • C13N15: 204.0350278132

InChI string: InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3+/m1/s1

PubChem Compound (CID): 1016
CAS Registry number: 27530-80-9
Sigma-Aldrich: P1003_SIGMA
ChemDB: 6420121
DTP/NCI: 89296
MMCD: cq_18970
MDL: MFCD00135662
PDB Compound ID: D11 TPO

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,