(S)-[(2R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3-Hydroxy-2,5-Dihydrofuran-2-Yl]Methoxy-Hydroxy-Methyl-Sulfido-Phosphonium

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Properties Simple | Detailed

Formula C11H15N5O4PS
IUPAC Name (s)-[(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 -572.1 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 364.9 Å 3
Surface Area 320.27 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
InChIKey IGKROYLZHCYCQW-JSJLHDGCSA-O
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