3-Allylthymidine

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Properties Simple | Detailed

Formula C13H18N2O5++
IUPAC Name 3-allyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 282.292 g·mol−1
Heat of Formation -830.3 ± 16.7 kJ·mol−1
Dipole Moment 4.25 ± 1.08 D
Volume 331.21 Å 3
Surface Area 292.64 Å 2
HOMO Energy -9.37 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-prop-2-enyl-pyrimidine-2,4-dione
  • 1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3-prop-2-enylpyrimidine-2,4-dione
  • 3-allyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-5-methylpyrimidine-2,4-dione
  • 3-allyl-1-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 3-allyl-1-[(2r,4s,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • n(3)-allylthymidine
  • thymidine, 3-(2-propenyl)-
CAS Number(s)
  • 103951-14-0
InChIKey FDFUWYFRQHCDMI-HBNTYKKESA-N
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