[(2R,3S,5R)-5-(2-Amino-6-Oxo-1H-Purine-3,7-Diium-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-N-(2-Sulfanylethyl)Phosphonamidic Acid

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Properties Simple | Detailed

Formula C12H19N6O6PS
IUPAC Name [(2r,3s,5r)-5-(2-amino-6-oxo-1h-purine-3,7-diium-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-(2-sulfanylethyl)phosphonamidic acid
Molecular Mass 406.355 g·mol−1
Heat of Formation -1095.2 ± 16.7 kJ·mol−1
Dipole Moment 10.80 ± 1.08 D
Volume 430.17 Å 3
Surface Area 361.98 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.48 ± eV
Point Group Symmetry C1
InChIKey SQUKUQMTQWLLII-XLPZGREQSA-P
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