1-Deoxy-1-(7,8-Dimethyl-2,4-Dioxo-6-Thioxo-1,3,4,6-Tetrahydrobenzo[G]Pteridin-10(2H)-Yl)Pentitol

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Formula C17H21N4O6S
IUPAC Name (10s)-7,8-dimethyl-10-[(2s,3s,4s)-2,3,4,5-tetrahydroxypentyl]-6-thioxo-1h-benzo[g]pteridin-5-ium-10a-ide-2,4-dione
Molecular Mass 409.437 g·mol−1
Heat of Formation -801.2 ± 16.7 kJ·mol−1
Dipole Moment 5.86 ± 1.08 D
Volume 448.44 Å 3
Surface Area 378.04 Å 2
HOMO Energy -8.31 ± 0.55 eV
LUMO Energy -1.97 ± eV
Point Group Symmetry C1
InChIKey XWPMQSWESYKPEA-GBIKHYSHSA-N
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