2-(6-Amino-9H-Purin-9-Yl)-1,5-Anhydro-2,3-Dideoxy-6-O-Phosphonohexitol

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Formula C11H16N5O6P
IUPAC Name [(2s,3r,5r)-5-(6-aminopurine-1,3,7-triium-9-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 345.248 g·mol−1
Heat of Formation -1132.2 ± 16.7 kJ·mol−1
Dipole Moment 8.16 ± 1.08 D
Volume 359.99 Å 3
Surface Area 308.33 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.64 ± eV
Point Group Symmetry C1
InChIKey YTRYYFQQGYRCHL-BIIVOSGPSA-N
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