[(2R,5R)-5-[2-Amino-8-[(R)-[(Z)-2-(4-Azidophenyl)Vinyl]Sulfinyl]-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl]-3-Hydroxy-2,5-Dihydrofuran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C18H19N8O8PS
IUPAC Name [(2r,5r)-5-[2-amino-8-[(r)-[(z)-2-(4-azidophenyl)vinyl]sulfinyl]-6-oxo-3h-purine-1,7-diium-4-id-9-yl]-3-hydroxy-2,5-dihydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 538.431 g·mol−1
Heat of Formation -832.2 ± 16.7 kJ·mol−1
Dipole Moment 9.01 ± 1.08 D
Volume 549.86 Å 3
Surface Area 401.51 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey POCAPVZFRJZQKJ-CXMSHFHTSA-P
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