6-{[2-({[5-(Dimethylamino)-1-Naphthyl]Sulfonyl}Amino)Ethyl]Sulfanyl}-9-(β-D-Ribofuranosyl)-9H-Purin-2-Amine

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Properties Simple | Detailed

Formula C19H30N7O6S2
IUPAC Name (3e)-5-amino-n-[2-[[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-8h-purine-1,3-diium-6-yl]sulfanyl]ethyl]-3,4-dimethyl-penta-1,3-diene-2-sulfonamide
Molecular Mass 516.615 g·mol−1
Heat of Formation -597.5 ± 16.7 kJ·mol−1
Dipole Moment 7.06 ± 1.08 D
Volume 640.89 Å 3
Surface Area 515.51 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1-naphthalenesulfonamide, n-(2-((2-amino-9-beta-d-ribofuranosyl-9h-purin-6-yl)thio)ethyl)-5-(dimethylamino)-
  • n-[2-[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanylethyl]-5-dimethylamino-naphthalene-1-sulfonamide
  • n-[2-[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanylethyl]-5-dimethylaminonaphthalene-1-sulfonamide
  • n-[2-[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]sulfanylethyl]-5-dimethylamino-naphthalene-1-sulfonamide
  • n-[2-[[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-purinyl]thio]ethyl]-5-dimethylamino-1-naphthalenesulfonamide
  • n-[2-[[2-amino-9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]thio]ethyl]-5-dimethylamino-naphthalene-1-sulfonamide
  • s-(n-dansylaminoethyl)-6-mercaptoguanosine
CAS Number(s)
  • 75501-09-6
InChIKey MPXSKCLUZXLSQT-UGTJMOTHSA-N
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