5'-O-[{[{[(1R,2R,3S,4R)-4-(3-Carbamoyl-1-Pyridiniumyl)-2,3-Dihydroxycyclopentyl]Methoxy}(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphoryl]Adenosine

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Formula C22H30N7O13P2+
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(1r,2r,3s,4r)-4-(3-carbamoylpyridin-1-ium-1-yl)-2,3-dihydroxy-cyclopentyl]methyl hydrogen phosphate
Molecular Mass 662.460 g·mol−1
Heat of Formation -2544.3 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 691.71 Å 3
Surface Area 580.76 Å 2
Point Group Symmetry C1
Synonyms
  • [(1r,2r,3s,4r)-4-(3-aminocarbonylpyridin-1-ium-1-yl)-2,3-dihydroxy-cyclopentyl]methyl [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] [(1r,2r,3s,4r)-4-(3-carbamoyl-1-pyridin-1-iumyl)-2,3-dihydroxycyclopentyl]methyl hydrogen phosphate
  • [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(1r,2r,3s,4r)-4-(3-carbamoylpyridin-1-ium-1-yl)-2,3-dihydroxy-cyclopentyl]methyl hydrogen phosphate
InChIKey DGPLSUKWXXSBCU-VGXGLJSLSA-O
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