[(2R,3S,4R,5R)-5-(3-Acetylpyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Phosphate

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Properties Simple | Detailed

Formula C22H28N6O14P2
IUPAC Name [(2r,3s,4r,5r)-5-(3-acetylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate
Molecular Mass 662.437 g·mol−1
Heat of Formation -2675.1 ± 16.7 kJ·mol−1
Dipole Moment 14.10 ± 1.08 D
Volume 668.82 Å 3
Surface Area 436.08 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (3-acetylpyridine)ad
  • 3-acetyl nad
  • 3-acetyl pyridine adenine dinucleotide
  • 3-acetyl-1-beta-d-ribofuranosylpyridinium hydroxide 5'ester
  • 3-acetylpyridine analog of dpn
  • 3-acetylpyridine diphosphopyridine nucleotide (van)
  • 3-acetylpyridine nad
  • 3-acetylpyridine-adenine dinucleotide
  • 3-acetylpyridine-dpn
  • 3-acetylpyridineadenine dinucleotide
  • [(2r,3s,4r,5r)-5-(3-acetyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(3-ethanoylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl phosphate
  • acetylpyridine adenine dinucleotide
  • acetylpyridine-adenine dinucleotide
  • acpyad
  • adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-acetyl-1-beta-d-ribofuranosylpyridinium hydroxide, inner salt (9ci)
  • beta-dpn acetylpyridine analog
  • diphosphopyridine nucleotide, 1-(3-pyridinyl)ethanone analog
  • diphosphopyridine nucleotide, 3-acetylpyridine analog
  • dpn 3-acetylpyridine analog
  • dpn, analogueol, 3-acetyl pyridine derivative
  • nicotinamide acetylpyridine dinucleotide
  • nicotinamide-adenine dinucleotide, 3-acetyl analog
  • nicotinamide-hypoxanthine dinucleotide, 3-acetyl analog
  • pyridine, 3-acetyl-, derivative of dpn analogue
CAS Number(s)
  • 86-08-8
InChIKey KPVQNXLUPNWQHM-RBEMOOQDSA-N
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