[(2R,3S,4R,5R)-5-(6-Amino-8H-Purin-9-Ium-8-Ylium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl [(1R)-1-Hydroxyundecyl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C21H36N5O8P
IUPAC Name [(2r,3s,4r,5r)-5-(6-amino-8h-purin-9-ium-8-ylium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl [(1r)-1-hydroxyundecyl] hydrogen phosphate
Molecular Mass 517.513 g·mol−1
Heat of Formation -1723.8 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 604.33 Å 3
Surface Area 533.84 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey DGBHISUNYLJTLF-SQDDPSDBSA-N
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