[(3S)-3-Acetamido-3-Carboxypropyl](Hydroxy)Oxophosphonium

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Properties Simple | Detailed

Formula C6H11NO5P+
IUPAC Name [(3s)-3-acetamido-4-hydroxy-4-oxobutyl]-hydroxy-oxophosphanium
Molecular Mass 208.129 g·mol−1
Heat of Formation -376.6 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 190.96 Å 3
Surface Area 200.08 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -2.02 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s)-3-acetamido-4-hydroxy-4-keto-butyl]-hydroxy-keto-phosphonium
  • [(3s)-3-acetamido-4-hydroxy-4-oxo-butyl]-hydroxy-oxo-phosphanium
  • [(3s)-3-acetamido-4-hydroxy-4-oxo-butyl]-hydroxy-oxo-phosphonium
  • [(3s)-3-acetamido-4-hydroxy-4-oxobutyl]-hydroxy-oxophosphonium
  • n-acetyldemethylphosphinothricin
  • n-adpt
CAS Number(s)
  • 135093-66-2
InChIKey YAHRFRPXRQYSSY-YFKPBYRVSA-O
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