5-[(4-Bromo-2,3-Dioxobutyl)Sulfanyl]-3-(2,5-Di-O-Phosphono-D-Ribofuranosyl)-3,9-Dihydroimidazo[2,1-I]Purin-6-Ium

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Formula C16H19BrN5O12P2S+
IUPAC Name [(2r,3r,4r,5r)-2-[5-(4-bromo-2,3-dioxo-butyl)sulfanylimidazo[2,1-f]purine-3,6,9-triium-3-yl]-4-hydroxy-5-(phosphonooxymethyl)tetrahydrofuran-3-yl] dihydrogen phosphate
Molecular Mass 647.265 g·mol−1
Heat of Formation -2225.1 ± 16.7 kJ·mol−1
Dipole Moment 12.61 ± 1.08 D
Volume 603.36 Å 3
Surface Area 468.14 Å 2
Point Group Symmetry C1
InChIKey UFGRPFGLXVTQEE-SDBHATRESA-O
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Elements C H O N P S Br