(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 -2027.0 ± 16.7 kJ·mol−1
Dipole Moment 7.50 ± 1.08 D
Volume 452.55 Å 3
Surface Area 370.59 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -2.36 ± eV
Point Group Symmetry C1
InChIKey JCPSMIOSLWKUPV-OYSMSZAWSA-N
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