[(2S,3S,4R,5R)-3-Amino-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-4-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C19H26N9O10P
IUPAC Name [(2s,3s,4r,5r)-3-amino-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 571.438 g·mol−1
Heat of Formation -1739.7 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 593.08 Å 3
Surface Area 429.38 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.50 ± eV
Point Group Symmetry C1
InChIKey INKAQSZJVYEJDA-YRHMQFFASA-P
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