(1S)-1-(4-Amino-5H-Pyrrolo[3,2-D]Pyrimidin-7-Yl)-1,4-Anhydro-D-Ribitol

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Formula C11H14N4O4
IUPAC Name (2r,3s,4s,5s)-2-(4-amino-6h-pyrrolo[3,2-d]pyrimidin-5-ium-6-ylium-7-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 266.253 g·mol−1
Heat of Formation -485.0 ± 16.7 kJ·mol−1
Dipole Moment 9.47 ± 1.08 D
Volume 291.78 Å 3
Surface Area 258.25 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.32 ± eV
Point Group Symmetry C1
InChIKey KEHFJRVBOUROMM-VCDKAQMESA-N
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