[3-[(2-Amino-6-Oxo-3H-Purin-9-Yl)Methyl]-4-Hydroxy-Butyl] Diphosphono Phosphate

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Properties Simple | Detailed

Formula C10H18N5O12P3
IUPAC Name [(3s)-3-[(2-amino-6-oxo-3h-purin-9-yl)methyl]-4-hydroxy-butyl] bis(dihydroxyphosphoryl) phosphate
Molecular Mass 493.198 g·mol−1
Heat of Formation -606.6 ± 16.7 kJ·mol−1
Dipole Moment 7.40 ± 1.08 D
Volume 419.64 Å 3
Surface Area 388.16 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -4.63 ± eV
Point Group Symmetry C1
InChIKey LULDFWDKTKFRNX-LURJTMIESA-N
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