2'-Deoxy-2'-[(3,5-Dimethoxybenzoyl)Amino]-N-(1-Naphthylmethyl)Adenosine

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Properties Simple | Detailed

Formula C30H30N6O6
IUPAC Name n-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-[6-(1-naphthylmethylamino)purine-1,3,7-triium-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide
Molecular Mass 570.596 g·mol−1
Heat of Formation -490.2 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 654.59 Å 3
Surface Area 545.82 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-[6-(1-naphthylmethylamino)-9-purinyl]-3-tetrahydrofuranyl]-3,5-dimethoxybenzamide
  • n-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-[6-(1-naphthylmethylamino)purin-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide
  • n-[(2r,3r,4s,5r)-4-hydroxy-5-(hydroxymethyl)-2-[6-(naphthalen-1-ylmethylamino)purin-9-yl]oxolan-3-yl]-3,5-dimethoxy-benzamide
  • n-[(2r,3r,4s,5r)-4-hydroxy-5-methylol-2-[6-(1-naphthylmethylamino)purin-9-yl]tetrahydrofuran-3-yl]-3,5-dimethoxy-benzamide
  • n-naphthalen-1-ylmethyl-2'-[3,5-dimethoxybenzamido]-2'-deoxy-adenosine
  • nmd
InChIKey OARVXDFNTLYMCJ-JVUUKAHWSA-N
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