9-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)-2,3-O-(2,4,6-Trinitro-2,5-Cyclohexadiene-1,1-Diyl)Pentofuranosyl]-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C16H20N8O19P3
IUPAC Name [[3-aminooxy-3-[hydroperoxy-[oxo(phosphooxy)phosphaniumyl]oxy-phosphoryl]oxy-2-oxo-propyl]amino]-methylidyne-ammonium; formaldehyde; [7-hydroxy-4-oxo-5-(oxomethylene)hepta-2,6-diynimidoyl]-methylidyne-ammonium; 3-nitrosooxazirene; nitroxyl
Molecular Mass 721.293 g·mol−1
Heat of Formation -450.2 ± 16.7 kJ·mol−1
Dipole Moment 3.50 ± 1.08 D
Volume 834.59 Å 3
Surface Area 521.04 Å 2
Point Group Symmetry C1
InChIKey TXMXHIVKIUHZFM-UHFFFAOYSA-N
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