2-Amino-9-[2,3-Dideoxy-3-(Hydroxymethyl)-β-D-Erythro-Pentofuranosyl]-3,9-Dihydro-6H-Purine-6-Thione

Molecule SVG Image

Properties Simple | Detailed

Formula C11H15N5O3S
IUPAC Name 2-amino-9-[(2r,4r,5s)-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-6-thione
Molecular Mass 297.334 g·mol−1
Heat of Formation -195.2 ± 16.7 kJ·mol−1
Dipole Moment 10.20 ± 1.08 D
Volume 329.95 Å 3
Surface Area 296.02 Å 2
HOMO Energy -7.97 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-9-[(2r,4r,5s)-4,5-bis(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purine-6-thione
  • 2-amino-9-[(2r,4r,5s)-4,5-bis(hydroxymethyl)oxolan-2-yl]-3h-purine-6-thione
  • 2-amino-9-[(2r,4r,5s)-4,5-bis(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-6-thione
  • 2-amino-9-[(2r,4r,5s)-4,5-dimethyloltetrahydrofuran-2-yl]-3h-purine-6-thione
  • 6-thioguanine-alpha-2,3-dideoxy-3-(hydroxymethyl)-d-erythro-pentafuranose
  • 6h-purine-6-thione, 2-amino-9-(2,3-dideoxy-3-(hydroxymethyl)-alpha-d-erythro-pentofuranosyl)-1,9-dihydro-
CAS Number(s)
  • 69828-00-8
InChIKey JFXDHZJSWZPYOX-FSDSQADBSA-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