(5R,6R)-5,6-Dihydroxy-5-Methyldihydro-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C5H8N2O4
IUPAC Name (5r,6r)-5,6-dihydroxy-5-methyl-hexahydropyrimidine-2,4-dione
Molecular Mass 160.128 g·mol−1
Heat of Formation -766.7 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 172.16 Å 3
Surface Area 166.83 Å 2
HOMO Energy -10.76 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (5r,6r)-5,6-dihydroxy-5-methyl-1,3-diazinane-2,4-dione
  • (5r,6r)-5,6-dihydroxy-5-methyl-5,6-dihydrouracil
  • (5r,6r)-5,6-dihydroxy-5-methyl-hexahydropyrimidine-2,4-dione
  • (5r,6r)-5,6-dihydroxy-5-methylhexahydropyrimidine-2,4-dione
  • 2,4(1h,3h)-pyrimidinedione, dihydro-5,6-dihydroxy-5-methyl-, (5r-cis)-
  • 2,4(1h,3h)-pyrimidinedione, dihydro-5,6-dihydroxy-5-methyl-, trans-
  • cis-5r,6s-thymine glycol
  • trans-thymine glycol
CAS Number(s)
  • 57968-48-6
  • 1431-06-7
InChIKey GUKSGXOLJNWRLZ-DUZGATOHSA-N
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