1-Deoxy-1-(7-Methyl-2,4-Dioxo-8-Thiocyanato-3,4-Dihydrobenzo[G]Pteridin-10(2H)-Yl)Pentitol

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Properties Simple | Detailed

Formula C17H18N5O6S++
IUPAC Name [7-methyl-2,4-dioxo-10-[(2r,3s,4r)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-10a-ylium-1-id-8-yl] thiocyanate
Molecular Mass 420.420 g·mol−1
Heat of Formation -660.7 ± 16.7 kJ·mol−1
Dipole Moment 4.65 ± 1.08 D
Volume 455.37 Å 3
Surface Area 386.49 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -2.37 ± eV
Point Group Symmetry C1
InChIKey MRWFADACGNTJKE-GYSYKLTISA-N
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