[(1R,2R,4R,6R,7S)-2-(2,4-Dioxopyrimidin-1-Yl)-7-Hydroxy-6-Methyl-3-Oxabicyclo[2.2.1]Heptan-4-Yl]Methyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C12H17N2O8P
IUPAC Name [(1r,2r,4r,6r,7s)-2-(2,4-dioxopyrimidin-1-yl)-7-hydroxy-6-methyl-3-oxabicyclo[2.2.1]heptan-4-yl]methyl dihydrogen phosphate
Molecular Mass 348.246 g·mol−1
Heat of Formation -1698.8 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 359.99 Å 3
Surface Area 302.09 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
InChIKey BIKPERMTZJFCSY-VOLLVAIWSA-N
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