[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-N-(2-Sulfanylethyl)Phosphonamidic Acid

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Properties Simple | Detailed

Formula C12H20N6O9P2S
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-n-(2-sulfanylethyl)phosphonamidic acid
Molecular Mass 486.335 g·mol−1
Heat of Formation -1920.5 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 502.25 Å 3
Surface Area 372.43 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy -1.27 ± eV
Point Group Symmetry C1
InChIKey OUQMLUJPOJYQJM-WOUKDFQISA-O
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