5'-O-[{[{[Anilino(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C11H21N6O12P3
IUPAC Name [[[(2r,3s,4r,5r)-5-(6-amino-2,8-dihydropurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxy-(methylamino)phosphinate
Molecular Mass 522.239 g·mol−1
Heat of Formation -2693.3 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 581.63 Å 3
Surface Area 463.28 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -1.41 ± 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-phenylphosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-n-phenyl-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-phenyl-phosphonamidic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-n-phenylphosphonamidic acid
  • adenosine 5'-(trihydrogen diphosphate), monoanhydride with phenylphosphoramidic acid
  • adenosine triphosphate gamma-anilide
  • atp gamma-anilide
  • gamma-anilide atp
  • gan-atp
CAS Number(s)
  • 52830-41-8
InChIKey WGONRKWYOCBBTI-XNIJJKJLSA-N
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