[(2R,3R,4R,5R)-5-(2-Amino-6-Oxo-3,8-Dihydropurine-1,2,4,5,7,8-Hexaid-9-Yl)-4-Methoxy-2-(Phosphonooxymethyl)Tetrahydrofuran-3-Yl] Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H24N5O11P2+
IUPAC Name [(2r,3r,4r,5r)-5-(2-amino-6-oxo-3,8-dihydropurine-1,2,4,5,7,8-hexaid-9-yl)-4-methoxy-2-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 464.283 g·mol−1
Heat of Formation -2258.8 ± 16.7 kJ·mol−1
Dipole Moment 10.42 ± 1.08 D
Volume 443.56 Å 3
Surface Area 383.85 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
InChIKey SKZHCLKZMCYMDN-KQYNXXCUSA-N
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