Triphosphoric Acid, Mono[[(2S,5R)-5-(3,4-Dihydro-5-Methyl-2,4-Dioxo-1(2H)-Pyrimidinyl)-2,5-Dihydro-2-Furanyl]Methyl] Ester

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Properties Simple | Detailed

Formula C10H15N2O13P3++
IUPAC Name [hydroxy-[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-ium-5-id-1-yl)-2,5-dihydrofuran-2-yl]methoxy]phosphoryl] phosphono hydrogen phosphate
Molecular Mass 464.153 g·mol−1
Heat of Formation -3207.2 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 435.32 Å 3
Surface Area 332.99 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • (hydroxy-phosphonooxy-phosphoryl) [(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxyphosphoryl) [(2s,5r)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2,5-dihydrofuran-2-yl]methyl hydrogen phosphate
  • (hydroxy-phosphonooxyphosphoryl) [(2s,5r)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl hydrogen phosphate
  • 2',3'-dedehydro-2',3'-dideoxythymidine triphosphate
  • 2',3'-didehydro-3'-deoxythymidine 5'-triphosphate
  • 2',3'-dideoxy-2',3'-dehydrothymidine 5'-triphosphate
  • 2,3-ddddttp
  • [(2s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
  • d4ttp
  • dddttp
  • ddettp
  • thymidine 5'-(tetrahydrogen triphosphate), 2',3'-didehydro-3'-deoxy-
  • thymine, 1-(2,3-dideoxy-.beta.-d-glycero-pent-2-enofuranosyl)-, 5'-(tetrahydrogen triphosphate)
CAS Number(s)
  • 146369-73-5
  • 26194-89-8
InChIKey ODSQODTUNULBHF-JGVFFNPUSA-N
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