2-[(4-Azido-5-Hydroxy-2-Nitro-Phenyl)Amino]Ethyl-(Hydroxy-Phosphonooxy-Phosphoryl)Oxy-Phosphinic Acid

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Properties Simple | Detailed

Formula C8H13N5O12P3
IUPAC Name 2-(4-azido-5-hydroxy-2-nitro-anilino)ethyl-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphinic acid
Molecular Mass 464.136 g·mol−1
Heat of Formation -2367.6 ± 16.7 kJ·mol−1
Dipole Moment 8.53 ± 1.08 D
Volume 427.8 Å 3
Surface Area 360.49 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((4-azido-2-nitrophenyl)amino)ethyl triphosphate
  • 2-[(4-azido-5-hydroxy-2-nitrophenyl)amino]ethyl-(hydroxy-phosphonooxyphosphoryl)oxyphosphinic acid
  • triphosphoric acid, p-(2-((4-azido-2-nitrophenyl)amino)ethyl) ester
CAS Number(s)
  • 97467-06-6
InChIKey CUUGUGJPLATVTD-UHFFFAOYSA-N
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