5-O-Phosphono-β-D-Ribofuranosyl-(1->2)-5-O-Phosphono-β-D-Ribofuranosyl-(1->2)Adenosine 5'-(Dihydrogen Phosphate)

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Formula C20H32N5O21P3
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-4-[(2r,3r,4r,5r)-3-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]oxy-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 771.410 g·mol−1
Heat of Formation -4474.8 ± 16.7 kJ·mol−1
Dipole Moment 8.76 ± 1.08 D
Volume 759.64 Å 3
Surface Area 563.07 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
InChIKey HABJYFWBXSWFJZ-GQVRRBAGSA-N
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