[(2R,3S,4R,5R)-5-(6-Amino-8-Oxo-7H-Purin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Phosphono Hydrogen Phosphate

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Properties Simple | Detailed

Formula C10H15N5O11P2
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-8-oxo-7h-purine-1,3-diium-5-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl phosphono hydrogen phosphate
Molecular Mass 443.201 g·mol−1
Heat of Formation -2397.6 ± 16.7 kJ·mol−1
Dipole Moment 7.97 ± 1.08 D
Volume 419.67 Å 3
Surface Area 338.66 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
InChIKey RKHXUJRVBUXHAN-UUOKFMHZSA-N
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