2-Amino-8-Bromo-9-(2-Deoxy-5-O-Phosphonopentofuranosyl)-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C10H14BrN5O7P
IUPAC Name [(2r,3s,5r)-5-(2-amino-8-bromo-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 427.125 g·mol−1
Heat of Formation -1304.3 ± 16.7 kJ·mol−1
Dipole Moment 14.12 ± 1.08 D
Volume 379.83 Å 3
Surface Area 319.24 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey KUFMHNJQBUZBPA-VPENINKCSA-N
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Elements C H O N P Br