9-Pentofuranosyl-2-(2-Phenylethoxy)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C18H21N5O5
IUPAC Name (2r,3r,4r,5s)-2-[6-amino-2-(2-phenylethoxy)purin-9-ium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 387.390 g·mol−1
Heat of Formation -532.0 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 444.0 Å 3
Surface Area 364.98 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
InChIKey LNJMSJMYTVMMGS-HVOFVXBASA-N
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