2'-Deoxy-2'-[(3,5-Dimethoxybenzoyl)Amino]-N-[(1R)-1,2,3,4-Tetrahydro-1-Naphthalenyl]Adenosine

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Properties Simple | Detailed

Formula C29H32N6O6
IUPAC Name n-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-[6-[[(1r)-tetralin-1-yl]amino]purine-1,3,7-triium-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide
Molecular Mass 560.601 g·mol−1
Heat of Formation -603.1 ± 16.7 kJ·mol−1
Dipole Moment 5.82 ± 1.08 D
Volume 649.65 Å 3
Surface Area 539.84 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • n-1,2,3,4-tetrahydronaphth-1-yl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine
  • n-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-[6-[[(1r)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]purin-9-yl]oxolan-3-yl]-3,5-dimethoxy-benzamide
  • n-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-[6-[[(1r)-1-tetralinyl]amino]-9-purinyl]-3-tetrahydrofuranyl]-3,5-dimethoxybenzamide
  • n-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-[6-[[(1r)-tetralin-1-yl]amino]purin-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide
  • n-[(2r,3r,4s,5r)-4-hydroxy-5-methylol-2-[6-[[(1r)-tetralin-1-yl]amino]purin-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide
  • tnd
InChIKey FDZQGEIYGFPMOB-ZUURFMEUSA-N
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