1-Deoxy-1-(7,8-Dimethyl-2,4-Dioxo-1,2,3,4-Tetrahydrobenzo[G]Pteridin-10-Ium-10-Yl)-5-O-[Hydroxy(Phosphonooxy)Phosphoryl]Pentitol

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Properties Simple | Detailed

Formula C17H23N4O12P2+
IUPAC Name 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-1,2,3,4-tetrahydrobenzo[g]pteridin-10-ium-10-yl)-5-o-[hydroxy(phosphonooxy)phosphoryl]pentitol
Molecular Mass 537.332 g·mol−1
Heat of Formation -254.8 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 490.09 Å 3
Surface Area 394.78 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy -3.30 ± eV
Point Group Symmetry C1
InChIKey QFFGVEGAYNGTJQ-OBJOEFQTSA-O
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