5'-O-(2,2-Dimethylpropanoyl)Thymidine

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Properties Simple | Detailed

Formula C15H22N2O6
IUPAC Name [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2,2-dimethylpropanoate
Molecular Mass 326.345 g·mol−1
Heat of Formation -1173.6 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 383.57 Å 3
Surface Area 313.6 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylpropanoic acid [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-tetrahydrofuranyl]methyl ester
  • 2,2-dimethylpropionic acid [(2r,3s,5r)-5-(2,4-diketo-5-methyl-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl ester
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)oxolan-2-yl]methyl 2,2-dimethylpropanoate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl 2,2-dimethylpropanoate
  • [(2r,3s,5r)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 2,2-dimethylpropanoate
InChIKey BRNFAYVGWLKRPV-HBNTYKKESA-N
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