2,3,4,5-Tetra-O-Acetyl-1-Deoxy-1-(3,7,8-Trimethyl-2,4-Dioxo-1,3,4,5-Tetrahydrobenzo[G]Pteridin-10(2H)-Yl)Pentitol

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Properties Simple | Detailed

Formula C26H32N4O10
IUPAC Name [(2r,3r,4r)-2,3,4-triacetoxy-5-(3,7,8-trimethyl-2,4-dioxo-1h-benzo[g]pteridine-5,10-diium-10-yl)pentyl] acetate
Molecular Mass 560.553 g·mol−1
Heat of Formation 2235.5 ± 16.7 kJ·mol−1
Dipole Moment 2.37 ± 1.08 D
Volume 596.25 Å 3
Surface Area 470.54 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -2.40 ± eV
Point Group Symmetry C1
InChIKey SJXWZFZDQGUPNF-MQSCRBSSSA-N
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