7-(5-Deoxy-β-D-Ribofuranosyl)-N,5-Diphenyl-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C23H22N4O3
IUPAC Name (2r,3r,4s,5r)-2-(4-anilino-5-phenyl-pyrrolo[2,3-d]pyrimidin-7-ium-7-yl)-5-methyl-tetrahydrofuran-3,4-diol
Molecular Mass 402.446 g·mol−1
Heat of Formation -140.7 ± 16.7 kJ·mol−1
Dipole Moment 4.06 ± 1.08 D
Volume 463.63 Å 3
Surface Area 394.95 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2-methyl-5-[5-phenyl-4-(phenylamino)-7-pyrrolo[3,2-e]pyrimidinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-methyl-5-[5-phenyl-4-(phenylamino)pyrrolo[3,2-e]pyrimidin-7-yl]oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-methyl-5-[5-phenyl-4-(phenylamino)pyrrolo[3,2-e]pyrimidin-7-yl]tetrahydrofuran-3,4-diol
  • gp683
  • gp836
InChIKey YPWISWJHVQIXIL-DVHMWJAFSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N