9-[2-Deoxy-5-O-(2,2-Dimethylpropanoyl)-3-O-(Methylsulfonyl)-β-D-Threo-Pentofuranosyl]-N,N-Dimethyl-9H-Purin-6-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C18H27N5O6S
IUPAC Name [(2r,3r,5r)-5-[6-(dimethylamino)purin-9-yl]-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl 2,2-dimethylpropanoate
Molecular Mass 441.502 g·mol−1
Heat of Formation -925.4 ± 16.7 kJ·mol−1
Dipole Moment 4.40 ± 1.08 D
Volume 493.58 Å 3
Surface Area 373.47 Å 2
HOMO Energy -8.35 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 2'-deoxypuromycin
  • 2,2-dimethylpropanoic acid [(2r,3r,5r)-5-(6-dimethylamino-9-purinyl)-3-methylsulfonyloxy-2-tetrahydrofuranyl]methyl ester
  • 2,2-dimethylpropionic acid [(2r,3r,5r)-5-(6-dimethylaminopurin-9-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl ester
  • [(2r,3r,5r)-5-(6-dimethylaminopurin-9-yl)-3-methylsulfonyloxy-oxolan-2-yl]methyl 2,2-dimethylpropanoate
  • [(2r,3r,5r)-5-(6-dimethylaminopurin-9-yl)-3-methylsulfonyloxy-tetrahydrofuran-2-yl]methyl 2,2-dimethylpropanoate
  • [(2r,3r,5r)-5-(6-dimethylaminopurin-9-yl)-3-methylsulfonyloxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CAS Number(s)
  • 132370-70-8
InChIKey FHHWPZLULXFRQD-JHJVBQTASA-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