9-(2-Deoxy-β-D-Threo-Pentofuranosyl)-3,9-Dihydro-6H-Purin-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C10H8N4O4
IUPAC Name [2-cyano-2-[[(z)-[4-oxo-5-(oxomethylene)tetrahydrofuran-2-ylidene]amino]methylamino]acetyl]-methylidyne-ammonium
Molecular Mass 248.195 g·mol−1
Heat of Formation 608.1 ± 16.7 kJ·mol−1
Dipole Moment 4.51 ± 1.08 D
Volume 262.54 Å 3
Surface Area 265.68 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy -3.06 ± eV
Point Group Symmetry C1
Synonyms
  • 9-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purin-6-one
  • 9-[(2r,4r,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purin-6-one
  • 9-[(2r,4r,5r)-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]-3h-purin-6-one
InChIKey VGONTNSXDCQUGY-FSDSQADBSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C O N