6-(6-Amino-8-Bromo-9H-Purin-9-Yl)-2-[(4,5-Dimethoxy-2-Nitrobenzyl)Oxy]Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Ol 2-Oxide

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Formula C19H20BrN6O10P
IUPAC Name (2s,4ar,6r,7r,7as)-6-(6-amino-8-bromo-purine-1,3,7-triium-9-yl)-2-[(4,5-dimethoxy-2-nitro-phenyl)methoxy]-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Mass 603.274 g·mol−1
Heat of Formation -1182.2 ± 16.7 kJ·mol−1
Dipole Moment 3.81 ± 1.08 D
Volume 565.44 Å 3
Surface Area 476.43 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
InChIKey DNPINJJWFMWFRD-SQIMRUGUSA-N
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Elements C H O N P Br