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

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Formula C15H23N5O14P2
IUPAC Name [(2r,3r,4r,5r)-5-(6-aminopurin-9-yl)-4-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(phosphonooxymethyl)tetrahydrofuran-2-yl]oxy-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 559.316 g·mol−1
Heat of Formation -2865.0 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 562.03 Å 3
Surface Area 435.74 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
InChIKey BHIWBSNWEZIHHL-KEOHHSTQSA-N
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