Biological Magnetic Resonance Data Bank

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

2-hydroxyhexanoic Acid

Graphical representations:


View large 3D structure

Molecular Formula: C6H12O3

Natural Isotopic Abundance Mass: 132.15768

Mono-Isotopic Molecular Masses:

  • C12N14: 132.0786442515
  • C13N14: 138.0987732783
  • C12N15: 132.0786442515
  • C13N15: 138.0987732783

InChI string: InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m0/s1

PubChem Compound (CID): 99824
CAS Registry number: 6064-63-7
Sigma-Aldrich: 219800_ALDRICH
LipidMAPS: LMFA01050011
ChemIDplus: 006064637
ChemSpider: 90191
EINECS: 227-991-4
ChemDB: 6682387
DTP/NCI: 227903
MMCD: cq_10924
MDL: MFCD00004584

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,