3'-Deoxy-8-(Vinylsulfanyl)Adenosine 5'-(Dihydrogen Phosphate)

Molecule SVG Image

Properties Simple | Detailed

Formula C12H16N5O6PS
IUPAC Name [(2s,4r,5r)-5-(6-amino-8-vinylsulfanyl-purin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
Molecular Mass 389.324 g·mol−1
Heat of Formation -1077.6 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 398.78 Å 3
Surface Area 335.04 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • 8-tecamp
  • 8-thioethyladenosine-3',5'-cyclic monophosphoric acid
  • [(2s,4r,5r)-5-(6-amino-8-ethenylsulfanyl-purin-9-yl)-4-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
  • [(2s,4r,5r)-5-(6-amino-8-vinylsulfanyl-purin-9-yl)-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • [(2s,4r,5r)-5-[6-amino-8-(vinylthio)-9-purinyl]-4-hydroxy-2-tetrahydrofuranyl]methyl dihydrogen phosphate
  • [(2s,4r,5r)-5-[6-amino-8-(vinylthio)purin-9-yl]-4-hydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate
  • adenosine, 8-(ethylthio)-, cyclic 3',5'-(hydrogen phosphate)
CAS Number(s)
  • 31966-51-5
InChIKey CQRZNHZGBBIRLR-MVKOHCKWSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C H O N P S