[(2R,3S,4S)-5-(6,7-Dimethyl-2,4-Dioxo-Benzo[G]Pteridine-1,5-Diium-9A-Id-10-Yl)-2,3,4-Trihydroxy-Pentyl] Dihydrogen Phosphate

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Formula C17H22N4O9P
IUPAC Name [(2r,3s,4s)-5-(6,7-dimethyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Molecular Mass 457.352 g·mol−1
Heat of Formation -1741.0 ± 16.7 kJ·mol−1
Dipole Moment 9.56 ± 1.08 D
Volume 479.21 Å 3
Surface Area 410.85 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy -2.32 ± eV
Point Group Symmetry C1
InChIKey UCLIPYOSUOOXIK-WDMOLILDSA-P
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