[(2R,5R)-2-(6-Aminopurine-1,3,7-Triium-9-Yl)-4-Hydroxy-5-[[(2R,3S,4R,5R)-4-Hydroxy-5-(2-Oxopyrimidin-3-Ium-1-Yl)-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxymethyl]-2,5-Dihydrofuran-3-Yl] Dihydrogen Phosphate

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Formula C19H23N7O14P2
IUPAC Name [(2r,5r)-2-(6-aminopurine-1,3,7-triium-9-yl)-4-hydroxy-5-[[(2r,3s,4r,5r)-4-hydroxy-5-(2-oxopyrimidin-3-ium-1-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methoxymethyl]-2,5-dihydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 635.372 g·mol−1
Heat of Formation -2621.3 ± 16.7 kJ·mol−1
Dipole Moment 8.13 ± 1.08 D
Volume 630.07 Å 3
Surface Area 476.82 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
InChIKey UYORRYZWZIRTNC-HUUWVHBYSA-P
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