8-Azido-5'-O-({[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphinato)-2',3'-O-(2,3,5-Trinitro-2,4-Cyclohexadiene-1,1-Diyl)Adenosine

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Formula C16H17N11O19P3
IUPAC Name [[(2r,3ar,4r,6r,6ar)-4-(6-amino-8-azido-purine-1,3,7-triium-9-yl)-1',2',4'-trinitro-spiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,6'-cyclohexa-1,3-diene]-6-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 760.290 g·mol−1
Heat of Formation -2531.9 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 701.43 Å 3
Surface Area 548.78 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -2.84 ± eV
Point Group Symmetry C1
InChIKey IWTOZZJRQNAEHP-OZRHMMHVSA-M
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