(6E)-9-[5-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphoryl)Pentofuranosyl]-1-(5-O-Phosphonopentofuranosyl)-1,9-Dihydro-6H-Purin-6-Imine

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Formula C15H19N5O20P4------
IUPAC Name [[(2r,3s,4r,5r)-5-[1-[(2r,3r,4s,5r)-3,4-dihydroxy-5-[(3-oxo-1,2,3λ5-dioxaphosphiran-3-yl)oxymethyl]tetrahydrofuran-2-yl]-6-imino-purine-3,7-diium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-oxido-phosphoryl] (3-oxo-1,2,3λ5-dioxaphosphiran-3-yl) phosphate
Molecular Mass 713.228 g·mol−1
Heat of Formation -2707.1 ± 16.7 kJ·mol−1
Dipole Moment 6.45 ± 1.08 D
Volume 614.81 Å 3
Surface Area 439.99 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.88 ± eV
Point Group Symmetry C1
InChIKey RKNHJBVBFHDXGR-ASULVMIUSA-H
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