3-Benzylthymidine

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Properties Simple | Detailed

Formula C17H20N2O5
IUPAC Name 3-benzyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 332.351 g·mol−1
Heat of Formation -803.4 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 386.18 Å 3
Surface Area 328.38 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy -0.32 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methyl-3-(phenylmethyl)pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-(phenylmethyl)pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-3-(phenylmethyl)pyrimidine-2,4-dione
  • 3-(benzyl)-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • n(3)-benzylthymidine
  • thymidine, 3-(phenylmethyl)-
CAS Number(s)
  • 21473-21-2
InChIKey DBCHBEREBCGAIN-RRFJBIMHSA-N
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