[(2S,3R,4R)-5-(7,8-Dimethyl-2,4-Dioxo-Benzo[G]Pteridine-1,5-Diium-9A-Id-10-Yl)-2,3,4-Trihydroxy-Pentoxy]-Dihydroxy-Sulfido-Phosphonium

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Formula C17H23N4O8PS
IUPAC Name [(2s,3r,4r)-5-(7,8-dimethyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentoxy]-dihydroxy-sulfido-phosphonium
Molecular Mass 474.425 g·mol−1
Heat of Formation -1526.8 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 496.88 Å 3
Surface Area 414.1 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -2.01 ± eV
Point Group Symmetry C1
InChIKey HAAOYBUTNLBNDO-MBNYWOFBSA-P
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