[(2E,4R)-4-Amino-5-Ethoxy-2-Methyl-5-Oxo-2-Penten-1-Yl]Phosphonic Acid

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Properties Simple | Detailed

Formula C8H16NO5P
IUPAC Name [(e,4r)-4-amino-5-ethoxy-2-methyl-5-oxo-pent-2-enyl]phosphonic acid
Molecular Mass 237.190 g·mol−1
Heat of Formation -1202.4 ± 16.7 kJ·mol−1
Dipole Moment 1.91 ± 1.08 D
Volume 280.72 Å 3
Surface Area 244.58 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 0.31 ± eV
Point Group Symmetry C1
Synonyms
  • 3-pentenoic acid, 2-amino-4-methyl-5-phosphono-, 1-ethyl ester, (r-(e))-
  • [(e,4r)-4-amino-5-ethoxy-2-methyl-5-oxo-pent-2-enyl]phosphonic acid
  • [(e,4r)-4-amino-5-ethoxy-2-methyl-5-oxopent-2-enyl]phosphonic acid
  • [(e,4r)-4-amino-5-ethoxy-5-keto-2-methyl-pent-2-enyl]phosphonic acid
  • cgp 43487
  • cgp-43487
  • tocris-1409
CAS Number(s)
  • 146388-56-9
InChIKey OKDOWCKDTWNRCB-PTYLAXBQSA-N
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