3-(2-Chloro-2-Deoxy-β-D-Ribofuranosyl)-3,4,7,8-Tetrahydroimidazo[4,5-D][1,3]Diazepin-8-Ol

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Formula C11H15ClN4O4
IUPAC Name (8r)-3-[(2s,3s,4s,5s)-3-chloro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7,8-dihydro-4h-imidazo[4,5-d][1,3]diazepin-8-ol
Molecular Mass 302.714 g·mol−1
Heat of Formation -529.2 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 323.43 Å 3
Surface Area 281.03 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy 2.77 ± eV
Point Group Symmetry C1
InChIKey JYWSHPMZFVPRRF-FPZFGCLGSA-N
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Elements H C N O Cl