(2R,3R,4S,5S,6R)-4-Amino-3,5-Dihydroxy-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 (Non-Preferred Name)

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Formula C16H27N3O14P2++
IUPAC Name [(2r,3r,4s,5s,6r)-4-amino-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl] [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] hydrogen phosphate
Molecular Mass 547.345 g·mol−1
Heat of Formation -3229.8 ± 16.7 kJ·mol−1
Dipole Moment 5.07 ± 1.08 D
Volume 555.97 Å 3
Surface Area 390.41 Å 2
HOMO Energy -9.63 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey KVYJLJOGNUNRJK-HALQBZCBSA-N
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