1-[(1S,2S,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Bicyclo[3.1.0]Hex-2-Yl]-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C12H16N2O4++
IUPAC Name 1-[(1s,2s,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 252.266 g·mol−1
Heat of Formation -645.7 ± 16.7 kJ·mol−1
Dipole Moment 4.44 ± 1.08 D
Volume 293.05 Å 3
Surface Area 257.29 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 2.51 ± eV
Point Group Symmetry C1
Synonyms
  • (n)-methanocarba-thymidine
  • 1-[(1r,2s,4s,5s)-2-hydroxy-1-(hydroxymethyl)-4-bicyclo[3.1.0]hexanyl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(1r,2s,4s,5s)-2-hydroxy-1-methylol-4-bicyclo[3.1.0]hexanyl]-5-methyl-pyrimidine-2,4-quinone
  • 1-[4-hydroxy-5-(hydroxymethyl)bicyclo[3.1.0]hex-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione
  • [(n)-methanocarba-t]
  • north-methanocarbathymine
  • tmc
InChIKey NOWRLNPOENZFHP-ARHDFHRDSA-N
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