3-[5-(2-Methyl-2-Propanyl)-3-(Phosphonomethoxy)-1,2-Oxazol-4-Yl]-L-Alanine

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Properties Simple | Detailed

Formula C11H19N2O7P
IUPAC Name (2s)-2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)isoxazol-4-yl]propanoic acid
Molecular Mass 322.252 g·mol−1
Heat of Formation -1366.7 ± 16.7 kJ·mol−1
Dipole Moment 2.10 ± 1.08 D
Volume 363.07 Å 3
Surface Area 304.54 Å 2
HOMO Energy -9.72 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-1,2-oxazol-4-yl]propanoic acid
  • (2s)-2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl]propanoic acid
  • (2s)-2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)isoxazol-4-yl]propanoic acid
  • (2s)-2-amino-3-[5-tert-butyl-3-(phosphonomethoxy)isoxazol-4-yl]propionic acid
  • 2-amino-3-(5-tert-butyl-3-(phosphonomethoxy)-4-isoxazolyl)propionic acid
InChIKey AGSOOCUNMTYPSE-ZETCQYMHSA-N
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