[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] [(11R,13R,15S,16R)-4-Hydroxy-3-Phosphonooxy-5-(Blahtricyclo[Blah.Blah.Blah.Blah]Dodeca-2(26),3(27),8(27),9(26)-Tetraen-31-Yl)Tetrahydrofuran-11-Yl]Methyl Hydrogen Phosphate

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Formula C21H30N11O14P2
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] [(11r,13r,15s,16r)-4-hydroxy-3-phosphonooxy-5-(blahtricyclo[blah.blah.blah.blah]dodeca-2(26),3(27),8(27),9(26)-tetraen-31-yl)tetrahydrofuran-11-yl]methyl hydrogen phosphate
Molecular Mass 722.476 g·mol−1
Heat of Formation -2203.7 ± 16.7 kJ·mol−1
Dipole Moment 19.44 ± 1.08 D
Volume 715.86 Å 3
Surface Area 551.51 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -1.50 ± eV
Point Group Symmetry C1
InChIKey SDFDNUJYZWNUPZ-ZMZSREMBSA-Q
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