5-Deoxy-5-(7,8-Dimethyl-2,4-Dioxo-1,2,3,4-Tetrahydrobenzo[G]Pteridin-10-Ium-10-Yl)-1-O-Phosphono-D-Xylitol

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Properties Simple | Detailed

Formula C17H22N4O9P+
IUPAC Name [(2r,3s,4s)-5-(7,8-dimethyl-2,4-dioxo-1h-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Molecular Mass 457.352 g·mol−1
Heat of Formation -1862.0 ± 16.7 kJ·mol−1
Dipole Moment 6.23 ± 1.08 D
Volume 486.58 Å 3
Surface Area 412.05 Å 2
HOMO Energy -7.79 ± 0.55 eV
LUMO Energy -0.80 ± eV
Point Group Symmetry C1
InChIKey ANKZYBDXHMZBDK-SCRDCRAPSA-R
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