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

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Formula C20H26N5O8S
IUPAC Name (2r)-2-amino-3-[[7-methyl-2,4-dioxo-10-[(2r,3r,4s)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-1,5-diium-9a-id-8-yl]methylsulfanyl]propanoic acid
Molecular Mass 496.514 g·mol−1
Heat of Formation -1277.3 ± 16.7 kJ·mol−1
Dipole Moment 7.20 ± 1.08 D
Volume 538.17 Å 3
Surface Area 426.48 Å 2
HOMO Energy -9.24 ± 0.55 eV
LUMO Energy -2.09 ± eV
Point Group Symmetry C1
InChIKey SQWNFPKBFDWGEH-HPGNRBDVSA-P
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