[(2R,3S,4R,5R)-5-(3-Aminopyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [Hydroxy-[[(2R,3R,4R,5R)-3-Hydroxy-5-Imidazo[2,1-F]Purin-3-Yl-4-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxy]Phosphoryl] Phosphate

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Properties Simple | Detailed

Formula C22H32N7O16P3
IUPAC Name [(2r,3r,4r,5r)-2-(8h-imidazo[2,1-f]purin-6-ium-8-ylium-3-yl)-5-[[[[(2r,3s,4r,5r)-5-(5-λ1-azanyl-3,6-dihydro-2h-pyridine-2,6-diylium-3-id-1-yl)-3,4-dioxido-tetrahydrofuran-2,4,5-triid-2-yl]methoxy-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-oxido-tetrahydrofuran-3-yl] phosphate
Molecular Mass 743.448 g·mol−1
Heat of Formation -3191.8 ± 16.7 kJ·mol−1
Dipole Moment 8.95 ± 1.08 D
Volume 723.45 Å 3
Surface Area 535.91 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.57 ± eV
Point Group Symmetry C1
Synonyms
  • 3-aminopyridine-1,n(6)-ethenoadenine dinucleotide phosphate
  • [(2r,3s,4r,5r)-5-(3-amino-1-pyridin-1-iumyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [hydroxy-[[(2r,3r,4r,5r)-3-hydroxy-5-(3-imidazo[2,1-f]purinyl)-4-phosphonooxy-2-tetrahydrofuranyl]methoxy]phosphoryl] phosphate
  • [(2r,3s,4r,5r)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2r,3r,4r,5r)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxy-oxolan-2-yl]methoxy]phosphoryl] phosphate
  • [(2r,3s,4r,5r)-5-(3-aminopyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[[(2r,3r,4r,5r)-3-hydroxy-5-imidazo[2,1-f]purin-3-yl-4-phosphonooxyoxolan-2-yl]methoxy]phosphoryl] phosphate
  • aadp
  • pyridinium, 3-amino-1-(5-o-(hydroxy(phosphonooxy)phosphinyl)-beta-d-ribofuranosyl)-, p'-5'-ester with 3-(2-o-phosphono-beta-d-ribofuranosyl)-3h-imidazo(2,1-i)purine, inner salt
CAS Number(s)
  • 87865-72-3
InChIKey KJYUBJHMKOUNIF-RBEMOOQDSA-N
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