2'-Deoxy-5'-O-[(Dithiophosphono)]Cytidine

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Formula C9H14N3O5PS2+
IUPAC Name 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-[[hydroxy(sulfanyl)phosphinothioyl]oxymethyl]tetrahydrofuran-2-yl]pyrimidin-2-one
Molecular Mass 339.328 g·mol−1
Heat of Formation -1032.4 ± 16.7 kJ·mol−1
Dipole Moment 4.67 ± 1.08 D
Volume 357.0 Å 3
Surface Area 296.19 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 2.04 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-[(hydroxy-mercapto-thiophosphoryl)oxymethyl]tetrahydrofuran-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-[(hydroxy-mercaptophosphinothioyl)oxymethyl]-2-tetrahydrofuranyl]-2-pyrimidinone
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]oxolan-2-yl]pyrimidin-2-one
  • 4-amino-1-[(2r,4s,5r)-4-hydroxy-5-[(hydroxy-sulfanyl-phosphinothioyl)oxymethyl]tetrahydrofuran-2-yl]pyrimidin-2-one
InChIKey YPTNEFVBJOMHCI-SHYZEUOFSA-N
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