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

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Properties Simple | Detailed

Formula C10H17N5O12P3S
IUPAC Name (r)-[[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphonooxy-sulfido-phosphonium
Molecular Mass 524.255 g·mol−1
Heat of Formation -2886.8 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 488.33 Å 3
Surface Area 376.55 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
InChIKey XGAOYVYIONYFMI-CENJAJHPSA-N
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