2-Bromo-3-[(4Ar,6R,7R,7As)-2,7-Dihydroxy-2-Oxidotetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-6-Yl]-6-Phenyl-3,5-Dihydro-9H-Imidazo[1,2-A]Purin-9-One

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Properties Simple | Detailed

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-5h-imidazo[1,2-a]purin-9-one
Molecular Mass 524.219 g·mol−1
Heat of Formation -965.3 ± 16.7 kJ·mol−1
Dipole Moment 7.55 ± 1.08 D
Volume 482.73 Å 3
Surface Area 405.06 Å 2
HOMO Energy -8.67 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-3-[(1s,6r,8r,9r)-3,9-dihydroxy-3-keto-2,4,7-trioxa-3$l^{5}-phosphabicyclo[4.3.0]nonan-8-yl]-6-phenyl-5h-imidazo[1,2-a]purin-9-one
InChIKey FYTFYLRNLQRROD-XNIJJKJLSA-N
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Elements C H O N P Br