[(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-4-Methoxy-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H18N5O11P2
IUPAC Name [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-4-methoxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 458.235 g·mol−1
Heat of Formation -2258.6 ± 16.7 kJ·mol−1
Dipole Moment 10.51 ± 1.08 D
Volume 443.49 Å 3
Surface Area 384.22 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey JWIXKJVWWWSHQE-KQYNXXCUSA-P
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