[(2R,3S,5R)-5-(2,4-Dioxopyrimidin-1-Yl)-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl [(2R,3R,5R)-2-(Hydroxymethyl)-5-(5-Methyl-2,4-Dioxo-Pyrimidin-1-Yl)Tetrahydrofuran-3-Yl] Hydrogen Phosphate

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Properties Simple | Detailed

Formula C19H25N4O12P
IUPAC Name [(2r,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2r,3r,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate
Molecular Mass 532.395 g·mol−1
Heat of Formation -2389.7 ± 16.7 kJ·mol−1
Dipole Moment 8.96 ± 1.08 D
Volume 565.85 Å 3
Surface Area 422.41 Å 2
HOMO Energy -9.62 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxyuridylyl-(5'-3')thymidine
  • [(2r,3r,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-2-methylol-tetrahydrofuran-3-yl] [(2r,3s,5r)-5-(2,4-diketopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl hydrogen phosphate
  • [(2r,3s,5r)-5-(2,4-dioxo-1-pyrimidinyl)-3-hydroxy-2-tetrahydrofuranyl]methyl [(2r,3r,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-3-tetrahydrofuranyl] hydrogen phosphate
  • [(2r,3s,5r)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-oxolan-2-yl]methyl [(2r,3r,5r)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-3-yl] hydrogen phosphate
  • dtpdu
  • thymidine, 2'-deoxyuridylyl-(5'-3')-
  • thymidylyl-(3'-5')deoxyuridine
CAS Number(s)
  • 10318-59-9
InChIKey JEFGXHFUMBYQPS-PCKPYIHYSA-N
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