[(2R,3S,4R,5R)-4-Amino-2-[[(2R,3S,4R,5R)-4-Amino-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3-Phosphonooxy-Tetrahydrofuran-2-Yl]Methoxymethyl]-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate

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Formula C19H29N10O13P2
IUPAC Name [(2r,3s,4r,5r)-4-amino-2-[[(2r,3s,4r,5r)-4-amino-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-phosphonooxy-tetrahydrofuran-2-yl]methoxymethyl]-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 667.440 g·mol−1
Heat of Formation -2542.6 ± 16.7 kJ·mol−1
Dipole Moment 9.57 ± 1.08 D
Volume 672.68 Å 3
Surface Area 533.75 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
InChIKey WFHRIYLAUIJJGS-KZLWWIKISA-Q
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