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 C11H14N5O4PS
IUPAC Name (2r,5r)-5-(6-aminopurin-9-yl)-2-[[hydroxy(methyl)phosphinothioyl]oxymethyl]-2,5-dihydrofuran-3-ol
Molecular Mass 343.299 g·mol−1
Heat of Formation 821.0 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 345.89 Å 3
Surface Area 337.98 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy -3.40 ± eV
Point Group Symmetry C1
InChIKey ICRGYFPAGKGSJA-JSJLHDGCSA-N
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