N~2~-(Phosphonoacetyl)-L-Asparagine

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Properties Simple | Detailed

Formula C6H11N2O7P
IUPAC Name (2s)-4-amino-4-oxo-2-[(2-phosphonoacetyl)amino]butanoic acid
Molecular Mass 254.135 g·mol−1
Heat of Formation -1598.2 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 267.4 Å 3
Surface Area 248.89 Å 2
HOMO Energy -10.32 ± 0.55 eV
LUMO Energy -0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-amino-4-keto-2-[(2-phosphonoacetyl)amino]butyric acid
  • (2s)-4-amino-4-oxo-2-(2-phosphonoethanoylamino)butanoic acid
  • (2s)-4-amino-4-oxo-2-[(1-oxo-2-phosphonoethyl)amino]butanoic acid
  • (2s)-4-amino-4-oxo-2-[(2-phosphonoacetyl)amino]butanoic acid
  • 1ip
InChIKey DDKQZYWRWCFCJX-VKHMYHEASA-N
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