1-[(2R,4R)-2-(Hydroxymethyl)-1,3-Dioxolan-4-Yl]-5-Methyl-2,4(1H,3H)-Pyrimidinedione

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Properties Simple | Detailed

Formula C9H12N2O5++
IUPAC Name 1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 228.202 g·mol−1
Heat of Formation -856.9 ± 16.7 kJ·mol−1
Dipole Moment 2.31 ± 1.08 D
Volume 249.32 Å 3
Surface Area 228.21 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-1-((2beta,4beta)-2-(hydroxymethyl)-4-dioxolanyl) thymine
  • (+-)-dioxolane-t
  • (+-)-dot
  • (+/-)-1-[(2beta,4beta)-2-(hydroxymethyl)-4-dioxolanyl] thymine
  • (+/-)-dioxolane-t
  • (+/-)-dot
  • (-)-1-((2r,4r)-2-(hydroxymethyl)-1,3-dioxan-4-yl)thymine
  • (-)-1-[(2r,4r)-2-hydroxymethyl)-1,3-dioxan-4-yl]thymine
  • (-)-d-.beta.-dioxolane t
  • (-)-d-.beta.-dioxolane-thymine
  • (-)-d-beta-dioxolane t
  • (-)-d-beta-dioxolane-thymine
  • 1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione
  • 2,4(1h,3h)-pyrimidinedione, 1-((2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl)-5-methyl-
  • 2,4(1h,3h)-pyrimidinedione, 1-[(2r,4r)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-5-methyl-
  • 5-methyl-1-[(2r,4r)-2-methylol-1,3-dioxolan-4-yl]pyrimidine-2,4-quinone
  • dioxolane t
  • dioxolane-thymine
CAS Number(s)
  • 136982-89-3
  • 127658-07-5
InChIKey BCAWWPAPHSAUQZ-RNFRBKRXSA-N
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