9-(2-Deoxy-5-O-Phosphonopentofuranosyl)-N-(2-Hydroxy-1-Phenylethyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C18H22N5O7P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[6-[[(1s)-2-hydroxy-1-phenyl-ethyl]amino]purin-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 451.370 g·mol−1
Heat of Formation -1258.1 ± 16.7 kJ·mol−1
Dipole Moment 6.35 ± 1.08 D
Volume 488.49 Å 3
Surface Area 394.66 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey GPBCZRLFTIFYIP-BYNSBNAKSA-N
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