(2S,3S,4S,5R,6S)-4-{[{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methoxy}(Phosphonooxy)Phosphoryl]Oxy}-3,5,6-Trihydroxytetrahydro-2H-Pyran-2-Carboxylic Acid

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Formula C15H22N2O18P2++
IUPAC Name (2s,3s,4s,5r,6s)-4-[[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-phosphonooxy-phosphoryl]oxy-3,5,6-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 580.285 g·mol−1
Heat of Formation -3808.0 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 568.97 Å 3
Surface Area 437.43 Å 2
HOMO Energy -9.90 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
InChIKey KTKHGQYPCCMXBN-JXPAPAIZSA-N
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