5'-O-Thiophosphonothymidine

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Formula C10H15N2O7PS
IUPAC Name 1-[(2r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 338.274 g·mol−1
Heat of Formation -1554.6 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 358.93 Å 3
Surface Area 296.87 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-5-(dihydroxyphosphinothioyloxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-5-(dihydroxythiophosphoryloxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
InChIKey OJRKJKYGUAALCJ-XLPZGREQSA-N
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