N~2~-(Phosphonoacetyl)-L-α-Asparagine

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Properties Simple | Detailed

Formula C6H11N2O7P
IUPAC Name (3s)-4-amino-4-oxo-3-[(2-phosphonoacetyl)amino]butanoic acid
Molecular Mass 254.135 g·mol−1
Heat of Formation -1613.1 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 261.9 Å 3
Surface Area 244.6 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy 0.18 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-4-amino-4-keto-3-[(2-phosphonoacetyl)amino]butyric acid
  • (3s)-4-amino-4-oxo-3-(2-phosphonoethanoylamino)butanoic acid
  • (3s)-4-amino-4-oxo-3-[(1-oxo-2-phosphonoethyl)amino]butanoic acid
  • (3s)-4-amino-4-oxo-3-[(2-phosphonoacetyl)amino]butanoic acid
  • 6pr
InChIKey HCFYWDYKLQITSR-VKHMYHEASA-N
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