3-[(4R)-1-[(2R,3R,4S,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Phosphoryl]Oxymethyl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]-3-Formyl-4H-Pyridin-4-Yl]-2-Oxo-Propanoic Acid

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Formula C24H30N6O17P2
IUPAC Name 3-[(4r)-1-[(2r,3r,4s,5r)-5-[[[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]-3-formyl-4h-pyridin-4-yl]-2-oxo-propanoic acid
Molecular Mass 736.472 g·mol−1
Heat of Formation -3252.4 ± 16.7 kJ·mol−1
Dipole Moment 8.89 ± 1.08 D
Volume 746.98 Å 3
Surface Area 499.65 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 1.47 ± eV
Point Group Symmetry C1
InChIKey UNVRQEZBRMHIDL-KZLYQMIJSA-O
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