BMRB

Biological Magnetic Resonance Data Bank


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

Tributyl Phosphate

Graphical representations:

Tributyl Phosphate image

Molecular Formula: C12 H27 O4 P

Natural Isotopic Abundance Mass: 266.314141

Mono-Isotopic Molecular Masses:

  • C12N14: 266.1646958651
  • C13N14: 278.2049539187
  • C12N15: 266.1646958651
  • C13N15: 278.2049539187

InCHi String:

canonical and isomeric SMILES: CCCCOP(=O)(OCCCC)OCCCC

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
tributyl phosphate

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

PubChem Substance (SID):   111677902   24844935   10506168
PubChem Compound (CID):   31357
KEGG: Compound ID   C14439
CAS Registry IDs:   126-73-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   MDL MFCD00009436   CAS 126-73-8   MMCD cq_10277   Sigma-Aldrich 00675_FLUKA   ChEBI CHEBI:35019   EPA DSSTox 34066   ChemDB 3969627   BIDD BIDD:ER0345   NIST Chemistry WebBook 2623568929

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.