5'-O-[Hydroxy(Sulfomethyl)Phosphoryl]Adenosine

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Formula C11H16N5O9PS
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-ium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]methanesulfonic acid
Molecular Mass 425.312 g·mol−1
Heat of Formation -1634.9 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 411.04 Å 3
Surface Area 336.24 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
InChIKey KHJWGJQWZBBXEI-IOSLPCCCSA-N
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