N~2~-Phenyl-9-(β-D-Xylofuranosyl)-9H-Purine-2,6-Diamine

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Formula C16H18N6O4
IUPAC Name (2r,3r,4r,5r)-2-(6-amino-2-anilino-purin-9-ium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 358.352 g·mol−1
Heat of Formation -351.7 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 396.41 Å 3
Surface Area 345.21 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
InChIKey SCNILGOVBBRMBK-JDTTZNEISA-N
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