[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4R,5S)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Formula C20H26N10O13P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4r,5s)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 676.427 g·mol−1
Heat of Formation -2426.7 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 678.28 Å 3
Surface Area 487.86 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
InChIKey BQZGUGZYMDDIGS-SNESVTBZSA-P
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