5'-O-{[2-(Aminooxy)Ethyl](Methyl)Amino}-2'-Deoxyadenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C13H21N7O4
IUPAC Name (2r,3s,5r)-2-[[2-aminooxyethyl(methyl)amino]oxymethyl]-5-(6-aminopurine-1,3,7-triium-9-yl)tetrahydrofuran-3-ol
Molecular Mass 339.350 g·mol−1
Heat of Formation -252.3 ± 16.7 kJ·mol−1
Dipole Moment 2.52 ± 1.08 D
Volume 383.3 Å 3
Surface Area 317.27 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,5r)-2-[(2-aminooxyethyl-methyl-amino)oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-ol
  • (2r,3s,5r)-2-[(2-aminooxyethyl-methyl-amino)oxymethyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3-ol
  • (2r,3s,5r)-2-[(2-aminooxyethyl-methylamino)oxymethyl]-5-(6-amino-9-purinyl)-3-tetrahydrofuranol
  • (2r,3s,5r)-2-[(2-aminooxyethyl-methylamino)oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-ol
  • 5'-deoxy-5'-(n-methyl-n-(2-(aminooxy)ethyl)amino)adenosine
  • adenosine, 5'-((2-(aminooxy)ethyl)methylamino)-5'-deoxy-
  • maoea
CAS Number(s)
  • 112621-39-3
InChIKey VRAHREWXGGWUKL-IVZWLZJFSA-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