5'-[(Bromoacetyl)Amino]-5'-Deoxyadenosine

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Formula C12H15BrN6O4
IUPAC Name n-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-bromo-acetamide
Molecular Mass 387.189 g·mol−1
Heat of Formation -468.0 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 369.3 Å 3
Surface Area 321.02 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -0.78 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-3,4-dihydroxy-2-tetrahydrofuranyl]methyl]-2-bromoacetamide
  • n-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-2-bromo-ethanamide
  • n-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl]-2-bromo-acetamide
  • n-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-bromoacetamide
InChIKey IKZBIMXWBHVZQO-JJNLEZRASA-N
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Elements H C Br O N