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

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Formula C22H36N5O8P
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] dodecanoate
Molecular Mass 529.524 g·mol−1
Heat of Formation 1264.0 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 556.88 Å 3
Surface Area 461.97 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy -2.69 ± eV
Point Group Symmetry C1
InChIKey IKBWVSPLSBIYSK-CIVUBGFFSA-N
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