2-Amino-9-(2-Deoxy-2,2-Difluoro-α-L-Erythro-Pentofuranosyl)-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C10H11F2N5O4
IUPAC Name 2-amino-8-fluoro-9-[3-fluoro-4-oxo-5-(oxomethylene)-2-furyl]purine-1,3,7-triium-6-one
Molecular Mass 303.222 g·mol−1
Heat of Formation -813.2 ± 16.7 kJ·mol−1
Dipole Moment 10.40 ± 1.08 D
Volume 304.39 Å 3
Surface Area 273.72 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy 2.58 ± eV
Point Group Symmetry C1
InChIKey RQIYMUKKPIEAMB-JIXHXVHPSA-N
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