[(2R,3R,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-{[(R)-{[(2R,3R,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-4-{[(R)-{[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}-3-Hydroxytetrahydro-2-Furanyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}-3-Hydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C30H38N15O19P3
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 1005.633 g·mol−1
Heat of Formation -3485.7 ± 16.7 kJ·mol−1
Dipole Moment 9.05 ± 1.08 D
Volume 1024.22 Å 3
Surface Area 787.71 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 25a
  • 5'-o-monophosphoryladenylyl(2'->5')adenylyl(2'->5')adenosine
  • 5'p-,2',5'-a-a-a
  • [(2r,3r,4r,5r)-5-(6-amino-9-purinyl)-4-[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl]oxy-3-hydroxy-2-tetrahydrofuranyl]methyl [(2r,3r,4r,5r)-2-(6-amino-9-purinyl)-4-hydroxy-5-(phosphonooxymethyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methyl [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate
  • [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,4r,5r)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
  • adenylyl-(2'-5')-adenylyl-(2'-5')-adenylyl-(2'-5')-adenosine, 5'-monophosphate
  • papapa
InChIKey SIIZPVYVXNXXQG-UQTMIEBXSA-N
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