2',5'-Dideoxy-5'-{Hydroxy[2-(Methylsulfanyl)Ethyl]Amino}Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C13H21N6O3S+
IUPAC Name (2r,3s,5r)-5-(6-aminopurin-9-ium-9-yl)-2-[[hydroxy(2-methylsulfanylethyl)amino]methyl]tetrahydrofuran-3-ol
Molecular Mass 341.409 g·mol−1
Heat of Formation -204.2 ± 16.7 kJ·mol−1
Dipole Moment 4.58 ± 1.08 D
Volume 392.07 Å 3
Surface Area 336.73 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 2.43 ± eV
Point Group Symmetry C1
Synonyms
  • (12-(aminooxy)ethyl)(5'-deoxyadenosin-5'-yl)(methyl)sulfonium
  • (2r,3s,5r)-5-(6-amino-9-purinyl)-2-[[hydroxy-[2-(methylthio)ethyl]amino]methyl]-3-tetrahydrofuranol
  • (2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[(hydroxy-(2-methylsulfanylethyl)amino)methyl]oxolan-3-ol
  • (2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[(hydroxy-(2-methylsulfanylethyl)amino)methyl]tetrahydrofuran-3-ol
  • (2r,3s,5r)-5-(6-aminopurin-9-yl)-2-[[hydroxy-[2-(methylthio)ethyl]amino]methyl]tetrahydrofuran-3-ol
  • adenosine, 5'-((2-(aminooxy)ethyl)methylsulfonio)-5'-deoxy-, cis-(+-)-
  • damteh
  • s-(5'-deoxy-5'-adenosyl)methylthioethylhydroxylamine
  • s-(5'-deoxyadenosyl-5')-s-methylthioethylhydroxylamine
CAS Number(s)
  • 84981-49-7
InChIKey PLJPLCIBJUZTTC-IVZWLZJFSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N