Triphosphoric Acid, Mono[[(2R,5S)-5-(4-Amino-2-Oxo-1(2H)-Pyrimidinyl)-1,3-Oxathiolan-2-Yl]Methyl] Ester

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Properties Simple | Detailed

Formula C8H14N3O12P3S
IUPAC Name [[(2r,5s)-5-(4-amino-2-oxo-pyrimidin-1-ium-3-id-1-yl)-1,3-oxathiolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
Molecular Mass 469.196 g·mol−1
Heat of Formation -2989.8 ± 16.7 kJ·mol−1
Dipole Moment 5.27 ± 1.08 D
Volume 425.47 Å 3
Surface Area 331.16 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.96 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-.beta.-l-2'-deoxy-3'-thiacytidine-5'-triphosphate
  • (-)-sddctp
  • (-)3tc-5'tp
  • 3tc-tp
  • 3tctp
  • [(2r,5s)-5-(4-amino-2-keto-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • [(2r,5s)-5-(4-amino-2-oxo-1-pyrimidinyl)-1,3-oxathiolan-2-yl]methyl (hydroxy-phosphonooxyphosphoryl) hydrogen phosphate
  • [(2r,5s)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • l-sddctp
InChIKey YLEQMGZZMCJKCN-NKWVEPMBSA-N
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