(2R,3R,4S,5R,6R)-3,5-Dihydroxy-6-Methyl-4-(Methylamino)Tetrahydro-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 Diphosp Hate (Non-Preferred Name)

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Formula C17H29N3O14P2++
IUPAC Name [(2r,3r,4s,5r,6r)-3,5-dihydroxy-6-methyl-4-(methylamino)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 561.371 g·mol−1
Heat of Formation -3219.1 ± 16.7 kJ·mol−1
Dipole Moment 7.02 ± 1.08 D
Volume 574.12 Å 3
Surface Area 435.62 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey CDWXXXLIBVLVLM-KYQZRJCOSA-N
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