(1Xi)-1,4-Anhydro-1-[(R)-[(2S,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Methyl]-L-Arabinitol

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Formula C14H22N2O16P2
IUPAC Name [(r)-[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-[(2s,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl] dihydroxyphosphoryl hydrogen phosphate
Molecular Mass 536.276 g·mol−1
Heat of Formation -3521.5 ± 16.7 kJ·mol−1
Dipole Moment 7.98 ± 1.08 D
Volume 531.72 Å 3
Surface Area 411.62 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -1.66 ± eV
Point Group Symmetry C1
InChIKey JCPSMIOSLWKUPV-XMDADLGKSA-N
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