O-{[(2R,5R)-5-(6-Amino-9H-Purin-9-Yl)-3-Hydroxy-2,5-Dihydro-2-Furanyl]Methyl} Hydrogen Methylphosphonothioate

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Formula C11H15N5O4PS
IUPAC Name (r)-[(2r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-2,5-dihydrofuran-2-yl]methoxy-hydroxy-methyl-sulfido-phosphonium
Molecular Mass 344.307 g·mol−1
Heat of Formation -594.8 ± 16.7 kJ·mol−1
Dipole Moment 4.23 ± 1.08 D
Volume 366.28 Å 3
Surface Area 316.06 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
InChIKey ICRGYFPAGKGSJA-JSJLHDGCSA-N
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