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

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Properties Simple | Detailed

Formula C10H16N5O12P3S
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 523.247 g·mol−1
Heat of Formation -2828.2 ± 16.7 kJ·mol−1
Dipole Moment 4.01 ± 1.08 D
Volume 488.41 Å 3
Surface Area 392.99 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -1.51 ± eV
Point Group Symmetry C1
InChIKey ROYJKVPBJVNHCQ-AJBXOXQOSA-N
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