4-Methylthio-7-β-D-Ribofuranosylpyrrolo(2,3-D)Pyrimidine

Molecule SVG Image

Properties Simple | Detailed

Formula C12H15N3O4S
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-ium-7-yl)tetrahydrofuran-3,4-diol
Molecular Mass 297.330 g·mol−1
Heat of Formation -497.5 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 328.49 Å 3
Surface Area 285.58 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -1.18 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrrolo[3,2-e]pyrimidin-7-yl)oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-(4-methylsulfanylpyrrolo[3,2-e]pyrimidin-7-yl)tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[4-(methylthio)-7-pyrrolo[3,2-e]pyrimidinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-methylol-5-[4-(methylthio)pyrrolo[3,2-e]pyrimidin-7-yl]tetrahydrofuran-3,4-diol
  • 4-(methylthio)-7-.beta.-d-ribofuranosylpyrrolo[2,3-d]pyrimidine
InChIKey ULAFTYMEZPGDOI-MFYTUXHUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N