(2S)-2-Amino-3-[3-[[7-Methyl-2,4-Dioxo-10-[(2R,3R,4R)-2,3,4,5-Tetrahydroxypentyl]Benzo[G]Pteridine-1,5-Diium-9A-Id-8-Yl]Methyl]-4H-Imidazol-1-Ium-4-Id-5-Yl]Propanoic Acid

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Formula C23H29N7O8
IUPAC Name (2s)-2-amino-3-[3-[[7-methyl-2,4-dioxo-10-[(2r,3r,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-1,5-diium-9a-id-8-yl]methyl]-4h-imidazol-1-ium-4-id-5-yl]propanoic acid
Molecular Mass 531.518 g·mol−1
Heat of Formation -1141.5 ± 16.7 kJ·mol−1
Dipole Moment 10.54 ± 1.08 D
Volume 582.91 Å 3
Surface Area 446.55 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
InChIKey BVCJIPIDFYFHIC-CNDLSXRNSA-P
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