6-(6-Amino-9H-Purin-9-Yl)-7-Hydroxytetrahydro-4H-Furo[3,2-D][1,3,2]Dioxaphosphinin-2-Olate 2-Sulfide

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Formula C10H13N5O5PS
IUPAC Name (2r,4ar,6r,7r,7as)-6-(6-aminopurine-1,3,7-triium-9-yl)-2-hydroxy-2-sulfido-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-2-ium-7-ol
Molecular Mass 346.279 g·mol−1
Heat of Formation -793.0 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 345.86 Å 3
Surface Area 304.28 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey SMPNJFHAPJOHPP-PUHOFUEYSA-N
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