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

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Properties Simple | Detailed

Formula C21H28N7O13P2+
IUPAC Name [[5-(6-aminopurin-9-ium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] [5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphate
Molecular Mass 648.434 g·mol−1
Heat of Formation 843.0 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 607.13 Å 3
Surface Area 529.4 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,5r)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
  • [[(2r,3s,5r)-5-(6-amino-9-purinyl)-3-hydroxy-2-tetrahydrofuranyl]methoxy-hydroxyphosphoryl] [(2r,3s,4r,5r)-5-(3-carbamoyl-1-pyridin-1-iumyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl hydrogen phosphate
InChIKey KTSYBAVNVZXUGP-HJKWLTBHSA-O
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