BMRB

Biological Magnetic Resonance Data Bank


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

(1-amino-1-phenylmethyl)phosphonic Acid

Graphical representations:

1_amino_1_phenylmethyl_phosphonic_acid

View large 3D structure

Molecular Formula: C7H10NO3P

Natural Isotopic Abundance Mass: 187.1329610000

Mono-Isotopic Molecular Masses:

  • C12N14: 187.039829703
  • C13N14: 194.063313567
  • C12N15: 188.036864596
  • C13N15: 194.063313567

InChI string: InChI=1/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11)/f/h9-10H

IUPAC: (amino-phenyl-methyl)phosphonic acid

PubChem Compound (CID): 98449
CAS Registry number: 18108-22-0
Beilstein Handbook Reference: 4-07-00-00555
NSC: 133874

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)