[(2R,3R,4R,5R)-3-Hydroxy-5-(3H-Imidazo[2,1-I]Purin-3-Yl)-4-(Phosphonooxy)Tetrahydro-2-Furanyl]Methyl [(2R,3S,4R,5R)-3,4,5-Trihydroxytetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate (Non-Preferred Name)

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Formula C17H22N5O17P3
IUPAC Name formyl formate; hydron; (z)-hydroperoxy-[hydroxy(prop-2-ynoxy)phosphoryl]oxy-[[(z)-2-hydroxyvinyloxy]methylene]phosphonium; 3-hydroxy-1,2,3λ5-dioxaphosphirane 3-oxide; 1-(7h-imidazo[2,1-f]purine-1,4,9-triium-7-id-3-yl)ethenol; hydrate
Molecular Mass 668.357 g·mol−1
Heat of Formation -2448.0 ± 16.7 kJ·mol−1
Dipole Moment 10.11 ± 1.08 D
Volume 714.63 Å 3
Surface Area 542.73 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
InChIKey KWEQFQACRLGUSH-QJWJOKBXSA-N
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