[(2R,3S,4R,5R)-5-(2-Amino-6-Thioxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C10H16N5O10P2S
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-thioxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 460.274 g·mol−1
Heat of Formation -2061.9 ± 16.7 kJ·mol−1
Dipole Moment 11.94 ± 1.08 D
Volume 449.96 Å 3
Surface Area 383.6 Å 2
HOMO Energy -7.80 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
InChIKey XPKQDEIWZGTOAO-UUOKFMHZSA-P
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