3'-O-{[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}Adenosine

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Properties Simple | Detailed

Formula C22H24N6O6S
IUPAC Name [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] 5-dimethylaminonaphthalene-1-sulfonate
Molecular Mass 500.528 g·mol−1
Heat of Formation -582.6 ± 16.7 kJ·mol−1
Dipole Moment 8.04 ± 1.08 D
Volume 546.23 Å 3
Surface Area 454.38 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.36 ± eV
Point Group Symmetry C1
Synonyms
  • 3'-o-(5-(dimethylamino)naphthalene-1-sulfonyl)adenosine
  • 3'-o-dansyladenosine
  • 5-dimethylamino-1-naphthalenesulfonic acid [(2r,3s,4r,5r)-5-(6-amino-9-purinyl)-4-hydroxy-2-(hydroxymethyl)-3-tetrahydrofuranyl] ester
  • 5-dimethylaminonaphthalene-1-sulfonic acid [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-methylol-tetrahydrofuran-3-yl] ester
  • [(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] 5-dimethylaminonaphthalene-1-sulfonate
  • adenosine, 3'-(5-(dimethylamino)-1-naphthalenesulfonate)
CAS Number(s)
  • 77446-71-0
InChIKey PFVOMAIBZGSHNC-CIVUBGFFSA-N
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