3'-Deoxy-5'-O-[{[(2E)-2-Diazonio-3-Ethoxy-3-Oxido-2-Propenoyl]Peroxy}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C14H10N7O10P
IUPAC Name [5-[(5e)-4-cyano-5-cyanoimino-2h-imidazol-1-yl]-4,5-dioxo-pent-2-ynyl] (2-hydrazino-3-oxo-prop-2-enoyl)oxy phosphate; formaldehyde
Molecular Mass 467.244 g·mol−1
Heat of Formation -1355.4 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 499.93 Å 3
Surface Area 436.35 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey ZHOKADRKVCJHAG-HHURGBBESA-N
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