5'-O-[{[({[(4-Azidophenyl)Amino](Hydroxy)Phosphoryl}Oxy)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C16H20N9O12P3
IUPAC Name [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-(4-azidophenyl)phosphonamidic acid
Molecular Mass 623.304 g·mol−1
Heat of Formation -2386.0 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 615.98 Å 3
Surface Area 447.42 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry C1
Synonyms
  • [[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-n-(4-azidophenyl)phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-(4-azidophenyl)phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-(4-azidophenyl)phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-n-(4-azidophenyl)phosphonamidic acid
  • adenosine 5'-(trihydrogen diphosphate) monoanhydride with (4-azidophenyl)phosphoramidic acid
  • adenosine triphosphate gamma-p-azidoanilide
  • atp gamma-p-azidoanilide
  • atp-gamma-4-azidoanilide
  • gamma-(p-azidoanilide)atp
CAS Number(s)
  • 54687-13-7
InChIKey JAOXVBKJGMCNRK-XNIJJKJLSA-N
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