[(2R,3S,4R,5R)-5-(6-Amino-8-Iodo-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [[(2R,3S,4R,5R)-5-(3-Carbamoylpyridin-1-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C21H27IN7O14P2+
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-8-iodopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [[(2r,3s,4r,5r)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
Molecular Mass 790.330 g·mol−1
Heat of Formation -2581.7 ± 16.7 kJ·mol−1
Dipole Moment 4.16 ± 1.08 D
Volume 722.17 Å 3
Surface Area 594.32 Å 2
Point Group Symmetry C1
Synonyms
  • 3-(aminocarbonyl)-1-[(2r,3r,4s,5r)-5-({[(r)-{[(s)-{[(2r,3s,4r,5r)-5-(6-amino-8-iodo-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]pyridinium
  • 8id
  • [(2r,3s,4r,5r)-5-(6-amino-8-iodo-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl [[(2r,3s,4r,5r)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5r)-5-(6-amino-8-iodo-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate
  • nicotinamide-8-iodo-adenine-dinucleotide
InChIKey UVGUXLRSEVQZMG-NAJQWHGHSA-O
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