1-Allylxanthosine

Molecule SVG Image

Properties Simple | Detailed

Formula C13H16N4O6
IUPAC Name 1-allyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-2,6-dione
Molecular Mass 324.289 g·mol−1
Heat of Formation -813.7 ± 16.7 kJ·mol−1
Dipole Moment 7.16 ± 1.08 D
Volume 354.62 Å 3
Surface Area 311.82 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-allyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-3h-purine-2,6-dione
  • 1-allyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-2,6-dione
  • 1-allyl-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]xanthine
  • 9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-prop-2-enyl-3h-purine-2,6-dione
InChIKey NNMYXNSKGHQLRZ-WOUKDFQISA-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