[(2R,3S,5R)-5-(2-Amino-6,8-Dioxo-1,7-Dihydropurin-3-Ium-5-Id-9-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methoxy-N-(2-Sulfanylethyl)Phosphonamidic Acid

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Properties Simple | Detailed

Formula C12H20N6O7PS
IUPAC Name [(2r,3s,5r)-5-(2-amino-6,8-dioxo-1,7-dihydropurin-3-ium-5-id-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-n-(2-sulfanylethyl)phosphonamidic acid
Molecular Mass 423.362 g·mol−1
Heat of Formation -1336.9 ± 16.7 kJ·mol−1
Dipole Moment 9.28 ± 1.08 D
Volume 437.51 Å 3
Surface Area 370.69 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey UQWWLJRKFNSZCF-KPXYMFBYSA-P
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