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

Graphical representations:

Trimethyl phosphonoacetate image

Molecular Formula: C5 H11 O5 P

Natural Isotopic Abundance Mass: 182.1116010000

Mono-Isotopic Molecular Masses:

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

InCHi String:

Isomeric and Canonical SMILES: COC(=O)CP(=O)(OC)OC

IUPAC: IUPAC cas: IUPAC openeye
methyl 2-dimethoxyphosphorylacetate

IUPAC traditional
2-dimethoxyphosphorylacetic acid methyl ester

IUPAC systematic
methyl 2-dimethoxyphosphorylethanoate

PubChem Substance (SID):   85164982   657017
PubChem Compound (CID):   80029
KEGG: Compound ID   n/a
CAS Registry IDs:   51298-31-8   5927-18-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   EINECS 227-663-0   NSC 84262

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.