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

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Properties Simple | Detailed

Formula C18H23N4O7++
IUPAC Name 7,8-dimethyl-10-[(2r,3r,4r,5r)-2,3,4,5,6-pentahydroxyhexyl]benzo[g]pteridin-10a-ylium-1-ide-2,4-dione
Molecular Mass 407.398 g·mol−1
Heat of Formation -1068.0 ± 16.7 kJ·mol−1
Dipole Moment 11.45 ± 1.08 D
Volume 448.85 Å 3
Surface Area 385.24 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -2.03 ± eV
Point Group Symmetry C1
InChIKey RPADDAUXKBBASM-QHSBEEBCSA-N
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