Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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O,O-diethyl Thiophosphate

O_O_diethyl_thiophosphate synonyms

O,O-Diethyl thiophosphate potassium salt; Potassium Diethyl Thiophosphate


Graphical representations:


View large 3D structure

Molecular Formula: C4H10O3PSK

Natural Isotopic Abundance Mass: 208.257461

Mono-Isotopic Molecular Masses:

  • C12N14: 207.9725332873
  • C13N14: 211.9859526385
  • C12N15: 207.9725332873
  • C13N15: 211.9859526385

InChI string: InChI=1S/C4H11O3PS.K/c1-3-6-8(5,9)7-4-2;/h3-4H2,1-2H3,(H,5,9);/q;+1/p-1

ChemBridge: 5116301
ChemSpider: 20807
MDL: MFCD00674011
MMCD: cq_03782
NextBio: 22164
PDB Compound ID: DPJ
PubChem Compound (CID): 23664334
Sigma-Aldrich: 445177_ALDRICH

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,