O-[(2R,3S,4R,5R)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-4-Hydroxy-2-(Hydroxymethyl)Tetrahydro-3-Furanyl] O-{[(2R,3S,4R,5R)-5-(2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-3,4-Dihydroxytetrahydro-2-Furanyl]Methyl} Hydrogen Phosphorothioate

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Formula C18H24N5O12PS+++
IUPAC Name 1-[(2r,3r,4s,5r)-5-[[[(2r,3s,4r,5r)-5-(4-amino-2-oxo-pyrimidin-1-ium-3-id-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-3,4-dihydroxy-tetrahydrofuran-2-yl]pyrimidine-2,4-dione
Molecular Mass 565.448 g·mol−1
Heat of Formation -2255.4 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 577.9 Å 3
Surface Area 430.58 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
InChIKey VZQLNJPTHATNOF-ILIYZMILSA-N
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