(2S,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

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Formula C10H13N5O5PS
IUPAC Name (2s,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 -800.1 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 345.59 Å 3
Surface Area 303.15 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
InChIKey SKUDNZDIVDJGDS-LHKKBNDGSA-O
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