[(2R,3S,6R)-6-(6-Amino-8H-Purin-9-Ium-8-Ylium-9-Yl)-3-Hydroxy-Tetrahydropyran-2-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C11H16N5O6P
IUPAC Name [(2r,3s,6r)-6-(6-amino-8h-purin-9-ium-8-ylium-9-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 345.248 g·mol−1
Heat of Formation -1168.0 ± 16.7 kJ·mol−1
Dipole Moment 5.11 ± 1.08 D
Volume 362.63 Å 3
Surface Area 312.39 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
InChIKey NNMDAQXJNWKVBU-XLPZGREQSA-N
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