3-[(Hydroxy{[(Phenylacetyl)Amino]Methyl}Phosphoryl)Oxy]Benzoic Acid

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Properties Simple | Detailed

Formula C16H16NO6P
IUPAC Name 3-[hydroxy-[[(2-phenylacetyl)amino]methyl]phosphoryl]oxybenzoic acid
Molecular Mass 349.275 g·mol−1
Heat of Formation -1161.8 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 394.39 Å 3
Surface Area 302.0 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[hydroxy-[(2-phenylethanoylamino)methyl]phosphoryl]oxybenzoic acid
  • 3-[hydroxy-[[(1-oxo-2-phenylethyl)amino]methyl]phosphoryl]oxybenzoic acid
  • 3-carboxyphenyl phenylacetamidomethylphosphonate
  • benzoic acid, 3-((hydroxy(((phenylacetyl)amino)methyl)phosphinyl)oxy)-
  • m-carboxyphenyl phenylacetamidomethylphosphonate
  • m-cppamp
CAS Number(s)
  • 125319-03-1
InChIKey PQNMYMXNEUQFAJ-UHFFFAOYSA-N
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