5'-O-(Hydroxy{[Hydroxy({Hydroxy[1-(2-Nitrophenyl)Ethoxy]Phosphoryl}Oxy)Phosphoryl]Oxy}Phosphoryl)Adenosine

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Formula C18H23N6O15P3
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [hydroxy-[(1s)-1-(2-nitrophenyl)ethoxy]phosphoryl] hydrogen phosphate
Molecular Mass 656.328 g·mol−1
Heat of Formation -3007.5 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 654.03 Å 3
Surface Area 451.8 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
InChIKey UOLVQBSMMHANLG-YBGGAFRISA-N
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