N-(Methoxycarbonyl)-3-(Triphenylphosphonio)-L-Alanine

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Properties Simple | Detailed

Formula C23H23NO4P+
IUPAC Name [(2r)-3-hydroxy-2-(methoxycarbonylamino)-3-oxopropyl]-tri(phenyl)phosphanium
Molecular Mass 408.407 g·mol−1
Heat of Formation 2876.8 ± 16.7 kJ·mol−1
Dipole Moment 5.70 ± 1.08 D
Volume 438.31 Å 3
Surface Area 349.58 Å 2
HOMO Energy -7.32 ± 0.55 eV
LUMO Energy -2.33 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r)-2-(carbomethoxyamino)-3-hydroxy-3-keto-propyl]-tri(phenyl)phosphonium
  • [(2r)-3-hydroxy-2-(methoxycarbonylamino)-3-oxo-propyl]-tri(phenyl)phosphanium
  • [(2r)-3-hydroxy-2-(methoxycarbonylamino)-3-oxo-propyl]-tri(phenyl)phosphonium
  • [(2r)-3-hydroxy-2-(methoxycarbonylamino)-3-oxopropyl]-tri(phenyl)phosphonium
InChIKey ZOPNOHQXLKBUKK-NRFANRHFSA-O
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