2'-Deoxy-5'-O-[(S)-{(S)-Fluoro[(S)-Hydroxy(Phosphonooxy)Phosphoryl]Methyl}(Hydroxy)Phosphoryl]Adenosine

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Properties Simple | Detailed

Formula C11H17FN5O11P3
IUPAC Name [(2r,3s,5r)-5-(6-aminopurin-9-ium-6-ylium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-[(s)-fluoro-[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Molecular Mass 507.199 g·mol−1
Heat of Formation -2739.2 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 488.6 Å 3
Surface Area 420.33 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.59 ± eV
Point Group Symmetry C1
InChIKey HAJKJTDYTZCDDL-LLVCWYDASA-N
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