[[(2R,3S,4R,5R)-5-(6-Aminopurine-1,3,7-Triium-9-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy-Hydroxy-Phosphoryl] [(2R,3R,4S)-4-Fluoro-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl Hydrogen Phosphate

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Formula C15H22FN5O12P2
IUPAC Name [[(2r,3s,4r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2r,3r,4s)-4-fluoro-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
Molecular Mass 545.307 g·mol−1
Heat of Formation -2686.5 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 546.57 Å 3
Surface Area 456.5 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
InChIKey VSURGHRFBWABNA-AOOZFPJJSA-O
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