2',3'-O-(2,4,6-Trinitro-2,5-Cyclohexadiene-1,1-Diyl)Adenosine 5'-(Tetrahydrogen Triphosphate)

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Formula C16H28N8O19P3
IUPAC Name cyano-[c-[[(1s,2r)-2-hydroxy-1-[(z,3z)-3-hydroxyimino-1-(2-methylazanidylethynylazanidyl)-3-nitro-prop-1-enoxy]cyclopropyl]methylazanidylmethyl]-n-oxidooxy-carbonimidoyl]azanide; hydron; [hydroperoxy(methoxy)phosphanyl] (3-hydroxydioxaphosphiran-3-ium-3-yl) hydrogen phosphate; methanone
Molecular Mass 737.421 g·mol−1
Heat of Formation -1580.3 ± 16.7 kJ·mol−1
Dipole Moment 2.62 ± 1.08 D
Volume 945.78 Å 3
Surface Area 547.75 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -2.50 ± eV
Point Group Symmetry C1
InChIKey TXMXHIVKIUHZFM-NFBVYZOFSA-N
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