Bis{[(2S,5R)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)-2,5-Dihydro-2-Furanyl]Methyl} Hydrogen Phosphate

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Properties Simple | Detailed

Formula C20H23N4O10P
IUPAC Name bis[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl] hydrogen phosphate
Molecular Mass 510.391 g·mol−1
Heat of Formation -1842.7 ± 16.7 kJ·mol−1
Dipole Moment 7.69 ± 1.08 D
Volume 570.7 Å 3
Surface Area 387.85 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
Synonyms
  • bis-5'-(2',3'-didehydro-3'-deoxythymidine) phosphate
  • bis-5'-d4t phosphate
  • bis[[(2s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl] hydrogen phosphate
  • bis[[(2s,5r)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2,5-dihydrofuran-2-yl]methyl] hydrogen phosphate
  • bis[[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl] hydrogen phosphate
  • bis[[(2s,5r)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl] hydrogen phosphate
  • thymidine, 2',3'-didehydro-3'-deoxythymidylyl-(5'-5')-2',3'-didehydro-3'-deoxy-
CAS Number(s)
  • 147104-00-5
InChIKey AFTUVCJBTTYRAU-CAOSSQGBSA-N
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