2-(Propylsulfanyl)Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C13H19N5O4S
IUPAC Name (2r,3r,4s,5r)-2-(6-amino-2-propylsulfanyl-purin-9-ium-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Molecular Mass 341.386 g·mol−1
Heat of Formation -510.8 ± 16.7 kJ·mol−1
Dipole Moment 3.11 ± 1.08 D
Volume 383.74 Å 3
Surface Area 336.23 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-(6-amino-2-propylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-(6-amino-2-propylsulfanyl-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(propylthio)-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-amino-2-(propylthio)purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
InChIKey RZECJIGAYNYQAD-WOUKDFQISA-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