N-Benzoyl-5'-O-Benzyl-2'-Deoxyadenosine

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Properties Simple | Detailed

Formula C24H23N5O4
IUPAC Name n-[9-[(2r,4s,5r)-5-(benzyloxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]benzamide
Molecular Mass 445.471 g·mol−1
Heat of Formation -195.0 ± 16.7 kJ·mol−1
Dipole Moment 3.05 ± 1.08 D
Volume 513.33 Å 3
Surface Area 441.66 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy 2.09 ± eV
Point Group Symmetry C1
Synonyms
  • 6-n-benzoyl-5'-o-benzyl-2'-deoxyadenosine
  • bb-deoxyadenosine
  • n-[9-[(2r,4s,5r)-4-hydroxy-5-(phenylmethoxymethyl)oxolan-2-yl]purin-6-yl]benzamide
  • n-[9-[(2r,4s,5r)-5-(benzyloxymethyl)-4-hydroxy-tetrahydrofuran-2-yl]purin-6-yl]benzamide
CAS Number(s)
  • 130359-85-2
InChIKey ABXIKYZXEAGUBB-XUVXKRRUSA-N
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