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

Molecule SVG Image

Properties Simple | Detailed

Formula C11H16N2O4++
IUPAC Name 1-[(1r,3r,4s)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-pyrimidine-2,4-dione
Molecular Mass 240.256 g·mol−1
Heat of Formation -772.4 ± 16.7 kJ·mol−1
Dipole Moment 6.11 ± 1.08 D
Volume 280.4 Å 3
Surface Area 253.09 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(1r,3r,4s)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methyl-pyrimidine-2,4-dione
  • 1-[(1r,3r,4s)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
  • 1-[(1r,3r,4s)-3-hydroxy-4-methylol-cyclopentyl]-5-methyl-pyrimidine-2,4-quinone
  • 2,4(1h,3h)-pyrimidinedione, 1-(3-hydroxy-4-(hydroxymethyl)cyclopentyl)-5-methyl-, (1r-(1alpha,3beta,4alpha))-
  • carbathymidine
  • carbocyclic thymidine
CAS Number(s)
  • 114884-15-0
InChIKey ZOZRLTAJWLEGLG-DJLDLDEBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N