3-[(2S,4Ar,6R,7R,7As)-2,7-Dihydroxy-2-Oxo-4A,6,7,7A-Tetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-2-Bromo-6-Phenyl-Imidazo[1,2-A]Purine-1,4,5,8-Tetraium-9-One

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Formula C18H15BrN5O7P
IUPAC Name 3-[(2s,4ar,6r,7r,7as)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-bromo-6-phenyl-imidazo[1,2-a]purine-1,4,5,8-tetraium-9-one
Molecular Mass 524.219 g·mol−1
Heat of Formation -965.3 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 482.49 Å 3
Surface Area 404.96 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey ZWCHXBWBDFOJFG-XNIJJKJLSA-P
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Elements C H O N P Br