9-(2-Deoxy-5-O-Phosphonopentofuranosyl)-N-(2-Hydroxy-2-Phenylethyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C18H22N5O7P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[6-[[(2r)-2-hydroxy-2-phenyl-ethyl]amino]purine-1,3,7-triium-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 451.370 g·mol−1
Heat of Formation -1240.0 ± 16.7 kJ·mol−1
Dipole Moment 4.46 ± 1.08 D
Volume 495.83 Å 3
Surface Area 413.91 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
InChIKey XQQQZMWASYSYAT-GBJTYRQASA-N
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