(1S,2R,5S)-5-(4-Amino-1H-Pyrrolo[2,3-D]Pyrimidin-6-Yl)-3-(Hydroxymethyl)-3-Cyclopentene-1,2-Diol

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Formula C12H14N4O3
IUPAC Name (1s,2r,5s)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-ium-6-ylium-6-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Molecular Mass 262.265 g·mol−1
Heat of Formation -297.6 ± 16.7 kJ·mol−1
Dipole Moment 1.90 ± 1.08 D
Volume 291.85 Å 3
Surface Area 268.94 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.40 ± eV
Point Group Symmetry C1
InChIKey JZDRJOCURZSMTC-QUNWWBBNSA-N
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