(1S,2R,3S,5R)-3-Amino-5-(4-Amino-5-Iodo-7H-Pyrrolo[2,3-D]Pyrimidin-7-Yl)-1,2-Cyclopentanediol

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Properties Simple | Detailed

Formula C11H14IN5O2
IUPAC Name (1s,2r,3s,5r)-3-amino-5-(4-amino-5-iodo-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-7-yl)cyclopentane-1,2-diol
Molecular Mass 375.166 g·mol−1
Heat of Formation -89.9 ± 16.7 kJ·mol−1
Dipole Moment 1.45 ± 1.08 D
Volume 324.27 Å 3
Surface Area 281.64 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey NSXJHIFQIZKLGF-LWIVVEGESA-O
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