[[(2R,3S,4R,5R)-5-[6-(Benzylamino)Purin-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

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Properties Simple | Detailed

Formula C28H33N7O14P2
IUPAC Name [[(2r,3s,4r,5r)-5-[6-(benzylamino)-8h-purin-9-ium-8-ylium-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 753.548 g·mol−1
Heat of Formation 1320.4 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 709.39 Å 3
Surface Area 509.93 Å 2
Point Group Symmetry C1
Synonyms
  • [(2r,3s,4r,5r)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(phenylmethylamino)purin-9-yl]oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate
  • [(2r,3s,4r,5r)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(phenylmethylamino)-9-purinyl]-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] phosphate
  • [(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [[(2r,3s,4r,5r)-3,4-dihydroxy-5-[6-(phenylmethylamino)purin-9-yl]tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] phosphate
  • n6-benzyl-nicotinamide-adenine-dinucleotide
  • nbd
InChIKey PDNSIRRMIDXSBH-INGGVVRRSA-N
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