[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [5-[5-[[[5-(6-Aminopurin-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl]Oxy-Hydroxy-Methyl]-3,6-Dihydro-2H-Pyridin-1-Yl]-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C31H44N11O21P3
IUPAC Name [[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [5-[5-[[[5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-methyl]-3,6-dihydro-2h-pyridin-1-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 999.663 g·mol−1
Heat of Formation 243.5 ± 16.7 kJ·mol−1
Dipole Moment 16.82 ± 1.08 D
Volume 911.87 Å 3
Surface Area 774.77 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy -4.05 ± eV
Point Group Symmetry C1
InChIKey DBSVVYFUZBLHSN-VZCRXWCPSA-N
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