[(2R,3S,5R)-3-Hydroxy-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methyl (2R,3R,4S,5R)-3,4,5-Trihydroxytetrahydro-2H-Pyran-2-Yl Dihydrogen Diphosphate

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Properties Simple | Detailed

Formula C15H24N2O15P2
IUPAC Name [hydroxy-[[(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl] [(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl] hydrogen phosphate
Molecular Mass 534.303 g·mol−1
Heat of Formation -3365.9 ± 16.7 kJ·mol−1
Dipole Moment 7.77 ± 1.08 D
Volume 528.09 Å 3
Surface Area 426.0 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy 1.59 ± eV
Point Group Symmetry C1
Synonyms
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl [hydroxy-[[(2r,3r,4s,5r)-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]phosphoryl] hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl [hydroxy-[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl [hydroxy-[(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-phosphoryl] hydrogen phosphate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [hydroxy-[(2r,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxyphosphoryl] hydrogen phosphate
  • [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [hydroxy-[(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-phosphoryl] hydrogen phosphate
  • tdx
  • thymidine-5'-diphospho-beta-d-xylose
InChIKey AJUADKZRQSBUAK-KDGZBOQCSA-N
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