5'-O-[Hydroxy(Phosphonoamino)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C10H16N6O9P2
IUPAC Name [[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]amino]phosphonic acid
Molecular Mass 426.216 g·mol−1
Heat of Formation -1907.3 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 418.86 Å 3
Surface Area 354.5 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • [[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]amino]phosphonic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]amino]phosphonic acid
  • [[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]amino]phosphonic acid
InChIKey FJNYKURUYWTJIG-KQYNXXCUSA-N
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