[(2R,3S,4R,5R)-5-[2-Amino-6-Oxo-8-(4-Phenylanilino)-3H-Purine-1,7-Diium-4-Id-9-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C22H24N6O8P
IUPAC Name [(2r,3s,4r,5r)-5-[2-amino-6-oxo-8-(4-phenylanilino)-3h-purine-1,7-diium-4-id-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 531.435 g·mol−1
Heat of Formation -1244.3 ± 16.7 kJ·mol−1
Dipole Moment 16.76 ± 1.08 D
Volume 557.56 Å 3
Surface Area 474.78 Å 2
HOMO Energy -7.96 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
InChIKey BFKVMQPLRGWAMP-WVSUBDOOSA-P
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