[(2S,5R)-5-(5-Methyl-2,4-Dioxo-3,4-Dihydro-1(2H)-Pyrimidinyl)Tetrahydro-2-Furanyl]Methyl Benzoate

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Properties Simple | Detailed

Formula C17H18N2O5
IUPAC Name [(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate
Molecular Mass 330.335 g·mol−1
Heat of Formation -785.2 ± 16.7 kJ·mol−1
Dipole Moment 7.27 ± 1.08 D
Volume 378.03 Å 3
Surface Area 327.24 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 5'-o-benzoyl-3'-deoxythymidine
  • 5'-o-benzoyl-3'-dt
  • [(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl benzoate
  • [(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate
  • [(2s,5r)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate
  • benzoic acid [(2s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl ester
  • benzoic acid [(2s,5r)-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl ester
  • ddthd
  • thymidine, 3'-deoxy-, 5'-benzoate
CAS Number(s)
  • 122621-07-2
InChIKey DCZVYXDBKVTNMI-UONOGXRCSA-N
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