5'-O-[({[Dichloro(Phosphono)Methyl](Hydroxy)Phosphoryl}Oxy)(Hydroxy)Phosphoryl]-2-[(2,2,3,3,3-~3~H_5_)Propylsulfanyl]Adenosine

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Formula C14H22Cl2N5O12P3S
IUPAC Name [[[[(2r,3s,4r,5r)-5-(6-amino-2-propylsulfanyl-purine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]-dichloro-methyl]phosphonic acid
Molecular Mass 648.243 g·mol−1
Heat of Formation -2747.7 ± 16.7 kJ·mol−1
Dipole Moment 6.47 ± 1.08 D
Volume 619.74 Å 3
Surface Area 493.02 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -1.70 ± eV
Point Group Symmetry C1
InChIKey ZLIAJZQKKBOFJR-WNJXVAICSA-N
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