5'-Chloro-5'-Deoxy-3'-O-[Hydroxy(4-Nitrophenoxy)Phosphorothioyl]Thymidine

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Properties Simple | Detailed

Formula C16H18ClN3O8PS
IUPAC Name (r)-[(2s,3s,5r)-2-(chloromethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-(4-nitrophenoxy)-sulfido-phosphonium
Molecular Mass 478.821 g·mol−1
Heat of Formation -1325.7 ± 16.7 kJ·mol−1
Dipole Moment 3.84 ± 1.08 D
Volume 491.41 Å 3
Surface Area 403.48 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
InChIKey VTOGRWKDDLCLJO-NTOHGGQQSA-N
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Elements C Cl H O N P S