5'-O-[(Dithiophosphono)]Thymidine

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Formula C10H15N2O6PS2
IUPAC Name 1-[(2r,4s,5r)-4-hydroxy-5-[[hydroxy(sulfanyl)phosphinothioyl]oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 354.340 g·mol−1
Heat of Formation -1299.9 ± 16.7 kJ·mol−1
Dipole Moment 5.40 ± 1.08 D
Volume 376.3 Å 3
Surface Area 315.64 Å 2
HOMO Energy -9.21 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-[(hydroxy-mercapto-thiophosphoryl)oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 1-[(2r,4s,5r)-4-hydroxy-5-[(hydroxy-mercaptophosphinothioyl)oxymethyl]-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
InChIKey KMPXQZWMYQHTNT-XLPZGREQSA-N
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