(2R,3R,4S,5S,6R)-3,4-Dihydroxy-5-[(E)-({3-Hydroxy-2-Methyl-5-[(Phosphonooxy)Methyl]-4-Pyridinyl}Methylene)Amino]-6-Methyltetrahydro-2H-Pyran-2-Yl [(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methyl Dihydrogen Diphosphate

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Formula C24H35N4O19P3++
IUPAC Name [(2r,3r,4s,5s,6r)-3,4-dihydroxy-5-[(e)-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]methyleneamino]-6-methyl-tetrahydropyran-2-yl] [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate
Molecular Mass 776.471 g·mol−1
Heat of Formation -4267.5 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 797.82 Å 3
Surface Area 623.31 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
InChIKey LEIRFGMKEVPNBT-ZBVJAJKCSA-N
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