[(2R,3S,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-[(S)-Fluoro-[Hydroxy(Phosphonooxy)Phosphoryl]Methyl]Phosphinic Acid

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Properties Simple | Detailed

Formula C11H17FN5O11P3
IUPAC Name [(2r,3s,5r)-5-(6-aminopurine-1,3,7-triium-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 -2733.1 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 491.18 Å 3
Surface Area 423.39 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey POIIHJQILXECTG-LLVCWYDASA-O
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