5'-O-[{[{[({[(4-Formyl-5-Hydroxy-6-Methyl-3-Pyridinyl)Methoxy](Hydroxy)Phosphoryl}Oxy)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C18H26N6O18P4
IUPAC Name [[(2r,3r,4r,5r)-5-(6-λ1-azanylpurin-9-yl)-3,4-dioxido-tetrahydrofuran-2-id-2-yl]methoxy-oxido-phosphoryl] [[[6-methyl-5-oxido-4-(oxomethyl)-2h-pyridin-2-ylium-3-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl] phosphate
Molecular Mass 738.323 g·mol−1
Heat of Formation -4149.3 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 700.65 Å 3
Surface Area 534.02 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[hydroxy-[hydroxy-[(5-hydroxy-4-methanoyl-6-methyl-pyridin-3-yl)methoxy]phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[[(4-formyl-5-hydroxy-6-methyl-3-pyridyl)methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[[(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl] hydrogen phosphate
  • adenosine 5'(pentahydrogen tetraphosphate), mono((4-formyl-5-hydroxy-6-methyl-3-pyridinyl)methyl) ester
  • adenosine tetraphosphate pyridoxal
  • adenosine tetraphosphopyridoxal
  • ap4-pl
CAS Number(s)
  • 101418-64-8
InChIKey GQWHVFNISFUGRD-XKLVTHTNSA-N
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