1-Deoxy-1-[(4Ar)-4A-[(2Z)-2-(2-{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Ethyl)-2-Buten-1-Yl]-7,8-Dimethyl-2,4-Dioxo-3,4,4A,5-Tetrahydrobenzo[G]Pteridin-10(2H)-Yl]-5-O-Phosphono-D-Ribitol

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Formula C23H35N4O16P3
IUPAC Name [(z)-3-[[(4ar)-7,8-dimethyl-2,4-dioxo-10-[(2s,3s,4r)-2,3,4-trihydroxy-5-phosphonooxy-pentyl]-5h-benzo[g]pteridin-4a-yl]methyl]pent-3-enyl] phosphono hydrogen phosphate
Molecular Mass 716.462 g·mol−1
Heat of Formation -3772.4 ± 16.7 kJ·mol−1
Dipole Moment 10.76 ± 1.08 D
Volume 750.01 Å 3
Surface Area 579.15 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey OAOWJIIZSRFUAL-QCJQWHCGSA-N
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