(R)-[(2S,3S,5R)-2-(Chloromethyl)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl]Oxy-Hydroxy-(4-Nitrophenoxy)-Sulfido-Phosphonium

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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-ium-5-id-1-yl)tetrahydrofuran-3-yl]oxy-hydroxy-(4-nitrophenoxy)-sulfido-phosphonium
Molecular Mass 478.821 g·mol−1
Heat of Formation -1330.9 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 491.88 Å 3
Surface Area 396.21 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
InChIKey TXCUJTODYXMRRZ-NTOHGGQQSA-P
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Elements C Cl H O N P S