2'-Deoxy-5'-O-(Hydroxy{[Hydroxy(Phosphonooxy)Phosphoryl]Oxy}Phosphorothioyl)Cytidine

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Formula C9H16N3O12P3S
IUPAC Name [[(2r,3s,5r)-5-(4-amino-2-oxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphinothioyl] dihydroxyphosphoryl hydrogen phosphate
Molecular Mass 483.223 g·mol−1
Heat of Formation -1452.5 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 390.83 Å 3
Surface Area 315.27 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
InChIKey CBYOGVVSAABFCZ-HAHHPWOESA-N
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