[[(2R,3S,4R,5R)-5-(6-Amino-8-Bromo-Purine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3S,4S)-3,4-Dihydroxytetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C15H22BrN5O13P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-amino-8-bromo-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 622.212 g·mol−1
Heat of Formation -2655.1 ± 16.7 kJ·mol−1
Dipole Moment 5.03 ± 1.08 D
Volume 573.28 Å 3
Surface Area 443.76 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey OYNDNDFXTHYIBI-ZVIMGNLFSA-O
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Elements C H O N P Br