8-Azido-2',3'-O-(2,3,5-Trinitro-2,4-Cyclohexadiene-1,1-Diyl)Adenosinato 5'-(Tetrahydrogen Triphosphate)

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Formula C16H9N11O19P3
IUPAC Name [(5e)-4-cyano-5-cyanoimino-1-[5-(5,9-dioxido-5,9-dioxo-1,2,4,6,8,10-hexaoxa-5λ5,9λ5-diphospha-3-phosphoniaspiro[2.7]decan-7-yl)-3-oxo-4-[(2,3,6-trinitro-4-bicyclo[3.1.0]hex-3-enyl)oxy]-2-furyl]imidazol-3-ium-2-yl]imino-imino-ammonium
Molecular Mass 752.226 g·mol−1
Heat of Formation -813.6 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 666.4 Å 3
Surface Area 516.83 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -3.79 ± eV
Point Group Symmetry C1
InChIKey IWTOZZJRQNAEHP-CHTZMKQYSA-N
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