Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Trimethyl Phosphonoacetate

Trimethyl_phosphonoacetate synonyms

Trimethylacetyl phosphate; Acetic acid, (dimethoxyphosphinyl)-, methyl ester


Graphical representations:


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Molecular Formula: C5H11O5P

Natural Isotopic Abundance Mass: 182.1116010000

Mono-Isotopic Molecular Masses:

  • C12N14: 182.034409974
  • C13N14: 187.051184163
  • C12N15: 182.034409974
  • C13N15: 187.051184163

InChI string: InChI=1S/C5H11O5P/c1-8-5(6)4-11(7,9-2)10-3/h4H2,1-3H3

IUPAC: methyl 2-dimethoxyphosphorylacetate

PubChem Compound (CID): 80029
CAS Registry number: 51298-31-8 5927-18-4
EINECS: 227-663-0
NSC: 84262

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,