[(2R,5R)-5-(2-Amino-8-Bromo-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-2,5-Dihydrofuran-2-Yl]Methoxy-Dihydroxy-Sulfido-Phosphonium

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Properties Simple | Detailed

Formula C10H12BrN5O6PS
IUPAC Name [(2r,5r)-5-(2-amino-8-bromo-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-2,5-dihydrofuran-2-yl]methoxy-dihydroxy-sulfido-phosphonium
Molecular Mass 441.175 g·mol−1
Heat of Formation -922.5 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 396.58 Å 3
Surface Area 322.45 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
InChIKey KVOPAWXJNZMAGC-SPGJFGJESA-O
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Elements C H O N P S Br