1-(7-Bromo-8-Methyl-2,4-Dioxo-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)-1-Deoxy-5-O-Phosphonopentitol

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Formula C16H19BrN4O9P
IUPAC Name [(2s,3s,4s)-5-(7-bromo-8-methyl-2,4-dioxo-benzo[g]pteridine-1,5-diium-9a-id-10-yl)-2,3,4-trihydroxy-pentyl] dihydrogen phosphate
Molecular Mass 522.221 g·mol−1
Heat of Formation -1643.3 ± 16.7 kJ·mol−1
Dipole Moment 9.78 ± 1.08 D
Volume 488.58 Å 3
Surface Area 418.79 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
InChIKey GLOVWERIXUQLIG-WZRBSPASSA-N
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Elements C H O N P Br