(1R)-2-[(2R,3S,4R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3,4-Dihydroxytetrahydro-2-Furanyl]-1-[(3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Ethyl Dihydrogen Phosphate

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Formula C19H24N7O12P
IUPAC Name [(1r)-2-[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-1-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl] dihydrogen phosphate
Molecular Mass 573.407 g·mol−1
Heat of Formation -2182.4 ± 16.7 kJ·mol−1
Dipole Moment 6.17 ± 1.08 D
Volume 585.34 Å 3
Surface Area 467.25 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.84 ± eV
Point Group Symmetry C1
InChIKey SQTOMJAYGJFXQA-GRMSTWJFSA-N
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