(2R,4S,6R)-4-Amino-4,6-Dimethyl-5-Oxotetrahydro-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 C17H27N3O13P2
IUPAC Name [(2r,4s,6r)-4-amino-4,6-dimethyl-5-oxo-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 543.356 g·mol−1
Heat of Formation -2981.9 ± 16.7 kJ·mol−1
Dipole Moment 4.64 ± 1.08 D
Volume 558.02 Å 3
Surface Area 446.67 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry C1
InChIKey LXNLHPYBLNFMEH-XXXNSVIPSA-N
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