[(2S,3S,5R)-5-(2-Amino-6-Oxo-1,8-Dihydropurine-2,3,4,5,7,8-Hexaid-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methylsulfanylphosphonic Acid

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Properties Simple | Detailed

Formula C10H20N5O6PS
IUPAC Name [(2s,3s,5r)-5-(2-amino-6-oxo-1,8-dihydropurine-2,3,4,5,7,8-hexaid-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methylsulfanylphosphonic acid
Molecular Mass 369.334 g·mol−1
Heat of Formation -1119.1 ± 16.7 kJ·mol−1
Dipole Moment 6.67 ± 1.08 D
Volume 368.96 Å 3
Surface Area 322.66 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey AHOKECUHLPOZOT-KVQBGUIXSA-N
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