5'-O-[{[(2-Cyanoethoxy)(Hydroxy)Phosphoryl]Oxy}(Hydroxy)Phosphorothioyl]Adenosine

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Properties Simple | Detailed

Formula C13H19N6O9P2S
IUPAC Name (s)-[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-[2-cyanoethoxy(hydroxy)phosphoryl]oxy-hydroxy-sulfido-phosphonium
Molecular Mass 497.337 g·mol−1
Heat of Formation -1866.7 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 506.3 Å 3
Surface Area 395.26 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey JOYCYBBHTRKFTI-AKXHRVGTSA-N
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