Thymine, 1-(2,3-Anhydro-B-D-Lyxofuranosyl)-

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Formula C10H12N2O5++
IUPAC Name 1-[(1s,2r,4r,5s)-2-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-4-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 240.213 g·mol−1
Heat of Formation -698.7 ± 16.7 kJ·mol−1
Dipole Moment 5.12 ± 1.08 D
Volume 258.86 Å 3
Surface Area 235.14 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(1s,2r,4r,5s)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(1s,2r,4r,5s)-4-(hydroxymethyl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
  • 5-methyl-1-[(1s,2r,4r,5s)-4-methylol-3,6-dioxabicyclo[3.1.0]hexan-2-yl]pyrimidine-2,4-quinone
InChIKey AXBTVCCVDAUCIY-UTSKPXGSSA-N
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