2'-Deoxy-5'-O-[(R)-{Difluoro[(R)-Hydroxy(Phosphonooxy)Phosphoryl]Methyl}(Hydroxy)Phosphoryl]Cytidine

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Properties Simple | Detailed

Formula C10H16F2N3O12P3
IUPAC Name [(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-[difluoro-[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Molecular Mass 501.165 g·mol−1
Heat of Formation -3347.0 ± 16.7 kJ·mol−1
Dipole Moment 7.28 ± 1.08 D
Volume 463.09 Å 3
Surface Area 395.17 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
InChIKey NCCTXZHZERSHKT-SHYZEUOFSA-N
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Elements C F H O N P