Nicotinamide Adenine Dinucleotide

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Formula C21H27N7O14P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 663.425 g·mol−1
Heat of Formation -2708.1 ± 16.7 kJ·mol−1
Dipole Moment 12.23 ± 1.08 D
Volume 660.58 Å 3
Surface Area 427.48 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 3-acetylpyridine adenine dinucleotide
  • 3-carbamoyl-1-beta-d-ribofuranosylpyridinium hydroxide, 5'-ester with adenosine 5'-pyrophosphate, inner salt
  • [(2r,3s,4r,5r)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate
  • [(3s,2r,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl {[(3s,2r,4r,5r)-5-(3-carbamoylpyridyl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxyphosphoryl)hydrogen phosphate
  • [14c] nad+
  • [32p] nad+
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate
  • [adenylate-32-p]-nad+
  • adenosine 5'-(trihydrogen diphosphate), p'-5'-ester with 3-(aminocarbonyl)-1-beta-d-ribofuranosylpyridinium hydroxide, inner salt
  • adenosine 5'-(trihydrogen diphosphate-p-32p), p'>5'-ester with 3-(aminocarbonyl)-1-beta-d-ribofuranosylpyridinium, inner salt (9ci)
  • beta-diphosphopyridine nucleotide
  • beta-nad+
  • codehydrase i
  • cozymase i
  • nad zwitterion
  • nicotinamide dinucleotide
  • nicotinamide-adenine-dinucleotide
  • oxidized diphosphopyridine nucleotide
  • pyridine, nucleotide diphosphate
  • pyridinium, 3-carbamoyl-1-b-d-ribofuranosyl-, hydroxide, 5'-5'-ester with adenosine 5'-(trihydrogen pyrophosphate), inner salt (8ci)
  • pyridinium, 3-carbamoyl-1-beta-d-ribofuranosyl-, hydroxide, 5'-ester with adenosine 5'-5'-(trihydrogen pyrophosphate), inner salt
CAS Number(s)
  • 159929-29-0
  • 30429-30-2
InChIKey BAWFJGJZGIEFAR-NNYOXOHSSA-N
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