1-(2-Deoxy-β-D-Arabino-Hexopyranosyl)-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C11H16N2O6
IUPAC Name 1-[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 272.255 g·mol−1
Heat of Formation -1103.3 ± 16.7 kJ·mol−1
Dipole Moment 3.63 ± 1.08 D
Volume 304.12 Å 3
Surface Area 273.13 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(2'-deoxy-beta-d-glucopyranosyl)thymine
  • 1-[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,4r,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4r,5s,6r)-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 1-gpt
  • 2,4(1h,3h)-pyrimidinedione, 1-(2-deoxy-beta-d-arabino-hexopyranosyl)-5-methyl-
  • deoxyglucosylthymine
InChIKey VVJYUAYZJAKGRQ-BGZDPUMWSA-N
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