1-[(2R,3R,4S)-3,4-Bis(Hydroxymethyl)-2-Oxetanyl]-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Formula C10H14N2O5++
IUPAC Name 1-[(2r,3r,4s)-3,4-bis(hydroxymethyl)oxetan-2-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 242.229 g·mol−1
Heat of Formation -830.9 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 273.74 Å 3
Surface Area 247.85 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3',4'-bis(hydroxymethyl)-2'-oxetanyl)-5-methyluracil
  • 1-(3,4-bis-hydroxymethyl-oxetan-2-yl)-5-methyl-1h-pyrimidine-2,4-dione
  • 1-[(2r,3r,4s)-3,4-bis(hydroxymethyl)-2-oxetanyl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,3r,4s)-3,4-bis(hydroxymethyl)oxetan-2-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,3r,4s)-3,4-bis(hydroxymethyl)oxetan-2-yl]-5-methylpyrimidine-2,4-dione
  • 1-[(2r,3r,4s)-3,4-dimethyloloxetan-2-yl]-5-methyl-pyrimidine-2,4-quinone
  • 2,4(1h,3h)-pyrimidinedione, 1-(3,4-bis(hydroxymethyl)-2-oxetanyl)-5-methyl-, (2r-(2alpha,3beta,4alpha))-
  • a 73209
  • a-73209
CAS Number(s)
  • 136451-98-4
InChIKey NRDGYJVGNAAHDO-ZXFLCMHBSA-N
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