N-(4-{Hydroxy[(4-Nitrobenzyl)Oxy]Phosphoryl}Butanoyl)Glycine

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Properties Simple | Detailed

Formula C13H17N2O8P
IUPAC Name 2-[4-[hydroxy-[(4-nitrophenyl)methoxy]phosphoryl]butanoylamino]acetic acid
Molecular Mass 360.256 g·mol−1
Heat of Formation -1305.4 ± 16.7 kJ·mol−1
Dipole Moment 6.66 ± 1.08 D
Volume 396.66 Å 3
Surface Area 363.89 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[hydroxy-(4-nitrobenzyl)oxy-phosphoryl]butanoylamino]acetic acid
  • 2-[4-[hydroxy-[(4-nitrophenyl)methoxy]phosphoryl]butanoylamino]ethanoic acid
  • 2-[[4-[hydroxy-[(4-nitrophenyl)methoxy]phosphoryl]-1-oxobutyl]amino]acetic acid
  • 4-nitro-benzylphosphonobutanoyl-glycine
  • pnb
InChIKey LNMNPGKCSJFAGN-UHFFFAOYSA-N
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