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

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Properties Simple | Detailed

Formula C13H21N7O4
IUPAC Name (2r,3s,4r,5r)-2-[[2-aminooxyethyl(methyl)amino]methyl]-5-(6-aminopurine-1,3,7-triium-9-yl)tetrahydrofuran-3,4-diol
Molecular Mass 339.350 g·mol−1
Heat of Formation -326.3 ± 16.7 kJ·mol−1
Dipole Moment 4.82 ± 1.08 D
Volume 388.08 Å 3
Surface Area 329.08 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4r,5r)-2-[(2-aminooxyethyl-methyl-amino)methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-[(2-aminooxyethyl-methyl-amino)methyl]-5-(6-aminopurin-9-yl)tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-[(2-aminooxyethyl-methylamino)methyl]-5-(6-amino-9-purinyl)tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-[(2-aminooxyethyl-methylamino)methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
  • 5'-deoxy-5'-[n-methyl-n-(2-aminooxyethyl) amino]adenosine
  • mao
InChIKey PPIPUCUVJJZYEK-QYVSTXNMSA-N
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