[(2R,3S,4R,5R)-5-(6-Amino-8-Azido-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl (3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate (Non-Preferred Name)

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Properties Simple | Detailed

Formula C16H24N8O15P2
IUPAC Name [(5e)-4-cyano-5-cyanoimino-1-[3,4-dioxo-5-(oxomethylene)tetrahydrofuran-2-yl]imidazol-3-ium-2-yl]imino-imino-ammonium; phospho [3,4,5-trioxo-6-(oxomethylene)tetrahydropyran-2-yl] phosphate
Molecular Mass 630.354 g·mol−1
Heat of Formation -1324.4 ± 16.7 kJ·mol−1
Dipole Moment 9.83 ± 1.08 D
Volume 550.7 Å 3
Surface Area 423.21 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -2.99 ± eV
Point Group Symmetry C1
InChIKey UNUATZXMYNAGSY-LRJDVEEWSA-N
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