N-[[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-Pyrimidin-3-Ium-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methyl]-2-(1H-Benzimidazol-3-Ium-7A-Id-2-Yl)Acetamide

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Properties Simple | Detailed

Formula C18H21N6O5
IUPAC Name n-[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-3-ium-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-(1h-benzimidazol-3-ium-7a-id-2-yl)acetamide
Molecular Mass 401.397 g·mol−1
Heat of Formation -609.8 ± 16.7 kJ·mol−1
Dipole Moment 8.08 ± 1.08 D
Volume 437.37 Å 3
Surface Area 392.7 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
InChIKey MIKAJQFQBQKGEE-GAEVZRCVSA-O
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