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 Phosphate

Trimethyl_phosphate synonyms

Trimethyl phosphate; Phosphoric acid, trimethyl ester; TZZ; Methyl phosphate


Graphical representations:


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Molecular Formula: C3H9O4P

Natural Isotopic Abundance Mass: 140.074921

Mono-Isotopic Molecular Masses:

  • C12N14: 140.0238452873
  • C13N14: 143.0339098007
  • C12N15: 140.0238452873
  • C13N15: 143.0339098007

InChI string: InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3

PubChem Compound (CID): 10541
CAS Registry number: 512-56-1
MMCD: cq_15869
CAS Registry number: 512-56-1
Sigma-Aldrich: 241024_ALDRICH
MMDB: 35413.5
DiscoveryGate: 10541
NIAID: 019796
ZINC: ZINC01689472
NIST Chemistry WebBook: 1822245927
PDB Compound ID: TZZ

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,