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

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Formula C17H18N5O5PS2
IUPAC Name (2s,4ar,6r,7r,7as)-6-(6-amino-8-benzylsulfanyl-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 467.459 g·mol−1
Heat of Formation -636.9 ± 16.7 kJ·mol−1
Dipole Moment 5.59 ± 1.08 D
Volume 493.53 Å 3
Surface Area 396.2 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
InChIKey CXSXQZZDDPUUEA-LXJUGQNYSA-N
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