(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-4-Hydroxy-2-({[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Methyl)Tetrahydro-3-Furanyl (2S,3S,4R,5R)-5-Acetamido-3,4,6-Trihydroxytetrahydro-2H-Pyran-2-Carboxylate

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Formula C17H25N3O18P2
IUPAC Name [(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]tetrahydrofuran-3-yl] (2s,3s,4r,5r,6s)-5-acetamido-3,4,6-trihydroxy-tetrahydropyran-2-carboxylate
Molecular Mass 621.337 g·mol−1
Heat of Formation -3806.6 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 625.6 Å 3
Surface Area 512.1 Å 2
HOMO Energy -9.59 ± 0.55 eV
LUMO Energy -1.54 ± eV
Point Group Symmetry C1
InChIKey AKKXQVKPGGLDKG-SSSNIPLLSA-N
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