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

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Properties Simple | Detailed

Formula C13H23N7O4++
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 341.366 g·mol−1
Heat of Formation -200.9 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 391.35 Å 3
Surface Area 354.78 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.32 ± 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
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