6-({4-[Hydroxy(4-Nitrophenoxy)Phosphoryl]Butanoyl}Amino)Hexanoic Acid

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Properties Simple | Detailed

Formula C16H23N2O8P
IUPAC Name 6-[4-[hydroxy-(4-nitrophenoxy)phosphoryl]butanoylamino]hexanoic acid
Molecular Mass 402.336 g·mol−1
Heat of Formation -1404.4 ± 16.7 kJ·mol−1
Dipole Moment 8.07 ± 1.08 D
Volume 462.99 Å 3
Surface Area 430.29 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 1.85 ± eV
Point Group Symmetry C1
Synonyms
  • 6-[[4-[hydroxy-(4-nitrophenoxy)phosphoryl]-1-oxobutyl]amino]hexanoic acid
  • 6-{4-[hydroxy-(4-nitro-phenoxy)-phosphoryl]-butyrylamino}-hexanoic acid
  • pnf
InChIKey WYHHVZLGTMCKOR-UHFFFAOYSA-N
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