N-(2-Methylbenzyl)Adenosine

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Properties Simple | Detailed

Formula C18H21N5O4
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-(o-tolylmethylamino)purin-9-ium-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 371.390 g·mol−1
Heat of Formation -389.5 ± 16.7 kJ·mol−1
Dipole Moment 2.74 ± 1.08 D
Volume 425.9 Å 3
Surface Area 368.57 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -0.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-[6-[(2-methylbenzyl)amino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]-9-purinyl]tetrahydrofuran-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]purin-9-yl]oxolane-3,4-diol
  • (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[(2-methylphenyl)methylamino]purin-9-yl]tetrahydrofuran-3,4-diol
  • 6-(o-methylbenzylamino)-9-beta-d-ribofuranosyl-9h-purine
  • metrifudil
  • th 322
  • y 341
  • y-341
CAS Number(s)
  • 23707-33-7
InChIKey OOEMZCZWZXHBKW-SCFUHWHPSA-N
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