(2S,3S,4S,5R,6R)-3,4,5-Trihydroxy-6-[(1R)-1-(Methoxymethyl)-2-(2-Nitro-4H-Imidazol-1-Ium-4-Id-3-Yl)Ethoxy]Tetrahydropyran-2-Carboxylic Acid

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Formula C13H20N3O10
IUPAC Name (2s,3s,4s,5r,6r)-3,4,5-trihydroxy-6-[(1r)-1-(methoxymethyl)-2-(2-nitro-4h-imidazol-1-ium-4-id-3-yl)ethoxy]tetrahydropyran-2-carboxylic acid
Molecular Mass 378.312 g·mol−1
Heat of Formation -1285.5 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 403.67 Å 3
Surface Area 332.17 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 1.99 ± eV
Point Group Symmetry C1
InChIKey HMSZMJFYAWGKAZ-URKRFGABSA-N
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