BMRB

Biological Magnetic Resonance Data Bank


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

D-3-Phenyllactic Acid

D-3-Phenyllactic Acid bmse000359 - Data

D-3-Phenyllactic synonyms

(R)-3-Phenyllactic acid; 2-hydroxy-3-phenylpropanoic acid; (R)-2-Hydroxy-3-phenylpropionic acid; D-3-phenyllactic acid; benzenepropanoic acid, alpha-hydroxy-; (R)-3-phenyllactic acid; D-(+)-3-Phenyllactic acid; (2R)-2-hydroxy-3-phenylpropanoic acid

Wikipedia:

Graphical representations:

D-3-Phenyllactic

View large 3D structure

Molecular Formula: C9H10O3

Natural Isotopic Abundance Mass: 166.1739

Mono-Isotopic Molecular Masses:

  • C12N14: 166.0629941873
  • C13N14: 175.0931877275
  • C12N15: 166.0629941873
  • C13N15: 175.0931877275

InChI string: InChI=1S/C9H10O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)/t8-/m1/s1

PubChem Compound (CID): 643327
CAS Registry number: 828-01-3
Sigma-Aldrich: 78841_FLUKA
ChEBI: CHEBI:32978
ChemSpider: 558480
DiscoveryGate: 643327
NMRShiftDB: 20033059

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)