BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

Trimethyl Phosphate

Trimethyl Phosphate synonyms

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

Wikipedia:

Graphical representations:

Trimethyl Phosphate image

View large 3D structure

Molecular Formula: C3 H9 O4 P

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

canonical and isomeric SMILES: COP(=O)(OC)OC

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
trimethyl phosphate

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac CAS NAME
phosphoric acid trimethyl ester

PubChem Substance (SID):   111677899   24854454   12079789
PubChem Compound (CID):   10541
KEGG: Compound ID   n/a
CAS Registry IDs:   512-56-1
PDB Chemical Component   TZZ
Miscellaneous Databases and IDs:   CAS 512-56-1   MMCD cq_15869   Sigma-Aldrich 241024_ALDRICH   MMDB 35413.5   DiscoveryGate 10541   NIAID 019796   ZINC ZINC01689472   NIST Chemistry WebBook 1822245927

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: 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, https://www.nature.com/articles/sdata201773