[(2R,3S,5R)-3-Hydroxy-5-[1-(2-Iodoethyl)-6-Oxo-2,8-Dihydropurine-2,3,4,5,7,8-Hexaid-9-Yl]Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C12H22IN4O7P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[1-(2-iodoethyl)-6-oxo-2,8-dihydropurine-2,3,4,5,7,8-hexaid-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 492.204 g·mol−1
Heat of Formation -1288.9 ± 16.7 kJ·mol−1
Dipole Moment 7.16 ± 1.08 D
Volume 420.01 Å 3
Surface Area 363.96 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey VZODOTFJXVCKSN-DJLDLDEBSA-N
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