2-Hydroxyisocaproic Acid

2-Hydroxyisocaproic Acid bmse000338 - Data

2-Hydroxyisocaproic synonyms

Pentanoic acid, 2-hydroxy-4-methyl-; 2-Hydroxy-4-methylpentanoic acid; alpha-Hydroxyisocaproic acid; DL-2-Hydroxy-4-methylvaleric acid; Leucic acid; 2-Hydroxy-4-methylvaleric acid; DL-leucic acid

Wikipedia:

Graphical representations:

2-Hydroxyisocaproic

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/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m1/s1

PubChem Compound (CID): 92779
CAS Registry number: 54641-21-3 10303-64-7 26671-68-1 498-36-2
ChemIDplus: 000498362
ChemSpider: 83753
NIST: 3673653695
DiscoveryGate: 92779
EINECS: 207-860-8
Sigma-Aldrich: 219819_ALDRICH
ChemDB: 6047663
PDB Compound ID: 1LU OLE

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, https://www.nature.com/articles/sdata201773)