3-(Phosphonoacetyl)-2-Piperidinecarboxylic Acid

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Properties Simple | Detailed

Formula C8H14NO6P
IUPAC Name (2r,3r)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid
Molecular Mass 251.174 g·mol−1
Heat of Formation -1363.8 ± 16.7 kJ·mol−1
Dipole Moment 0.65 ± 1.08 D
Volume 272.79 Å 3
Surface Area 245.03 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-3-(1-oxo-2-phosphonoethyl)-2-piperidinecarboxylic acid
  • (2r,3r)-3-(2-phosphonoacetyl)pipecolinic acid
  • (2r,3r)-3-(2-phosphonoacetyl)piperidine-2-carboxylic acid
  • (2r,3r)-3-(2-phosphonoethanoyl)piperidine-2-carboxylic acid
InChIKey YEEABICQMLEYCN-CAHLUQPWSA-N
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