8-(2-Hydroxypropyl)-9-(α-D-Ribofuranosyl)-9H-Purin-6-Amine

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Properties Simple | Detailed

Formula C13H19N5O5
IUPAC Name (2s,3r,4s,5r)-2-[6-amino-8-[(2r)-2-hydroxypropyl]purin-9-ium-8-ylium-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 325.320 g·mol−1
Heat of Formation -737.8 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 361.41 Å 3
Surface Area 313.73 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
InChIKey WMCYWCMJHJUXSU-WJJXSDRYSA-N
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