1-{5-O-[(4-Chlorophenoxy)(Hydroxy)Phosphoryl]-2,3-O-(Methoxymethylene)-D-Ribofuranosyl}-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C17H18ClN2O10P++
IUPAC Name [(2r,3ar,4s,6r,6ar)-4-(2,4-dioxopyrimidin-1-yl)-2-methoxy-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl (4-chlorophenyl) hydrogen phosphate
Molecular Mass 476.759 g·mol−1
Heat of Formation -1948.1 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 470.3 Å 3
Surface Area 347.63 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.77 ± eV
Point Group Symmetry C1
InChIKey WXZIFPMAGPIDSQ-NOSJPKONSA-N
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Elements C Cl H O N P