[(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
Properties
Property | Value |
---|---|
Formula | C21H36N5O8P |
IUPAC Name | [(2r,3s,4r,5r)-5-(6-aminopurin-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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Elements | P C H O N |