(2S,4Ar,6R,7R,7As)-6-{6-Amino-8-[(4-Fluorobenzyl)Sulfanyl]-9H-Purin-9-Yl}-2-Sulfanyltetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-7-Ol 2-Oxide

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Formula C17H17FN5O5PS2
IUPAC Name (2s,4ar,6r,7r,7as)-6-[6-amino-8-[(4-fluorophenyl)methylsulfanyl]purin-9-ium-9-yl]-2-oxo-2-sulfanyl-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol
Molecular Mass 485.450 g·mol−1
Heat of Formation -837.8 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 498.75 Å 3
Surface Area 395.29 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
InChIKey HQPHMVRGPVFPCD-BVGSDMBWSA-N
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