5-Amino-1-(5-Amino-5-Deoxy-β-D-Ribofuranosyl)-N-(4-Chlorobenzyl)-1H-Imidazole-4-Carboxamide

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Properties Simple | Detailed

Formula C16H20ClN5O4
IUPAC Name 5-amino-1-[(2r,3s,4s,5r)-5-(aminomethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]-n-[(4-chlorophenyl)methyl]imidazol-1-ium-5-ylium-4-carboxamide
Molecular Mass 381.814 g·mol−1
Heat of Formation -515.5 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 426.07 Å 3
Surface Area 373.57 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
InChIKey FEIAOOLXGPSVDK-YGSHXTJESA-N
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Elements H C N O Cl