9-(2-Deoxy-5-O-Phosphonopentofuranosyl)-2-[(2-Hydroxy-1-Phenylethyl)Amino]-3,9-Dihydro-6H-Purin-6-One

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Properties Simple | Detailed

Formula C18H23N5O8P
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-[2-[[(1s)-2-hydroxy-1-phenyl-ethyl]amino]-6-oxo-3h-purine-1,7-diium-4-id-9-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 468.378 g·mol−1
Heat of Formation -1394.6 ± 16.7 kJ·mol−1
Dipole Moment 12.20 ± 1.08 D
Volume 495.44 Å 3
Surface Area 384.1 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
InChIKey PJRDXCSKOSXVOB-IGQOVBAYSA-N
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