[(2R,3S,4R,5R)-5-(2-Amino-6-Oxo-3H-Purine-1,7-Diium-4-Id-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-(3-Bromo-2-Oxo-Propyl)Sulfanyl-Phosphinic Acid

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Formula C13H18BrN5O8PS
IUPAC Name [(2r,3s,4r,5r)-5-(2-amino-6-oxo-3h-purine-1,7-diium-4-id-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-(3-bromo-2-oxo-propyl)sulfanyl-phosphinic acid
Molecular Mass 515.253 g·mol−1
Heat of Formation -1354.7 ± 16.7 kJ·mol−1
Dipole Moment 9.64 ± 1.08 D
Volume 473.12 Å 3
Surface Area 367.88 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey RSGJETLHBANJLJ-WOUKDFQISA-P
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Elements C H O N P S Br