N-(4-{2-[(4-{2-[(2-Aminoethyl)Amino]-2-Oxoethyl}Phenyl)Amino]-2-Oxoethyl}Phenyl)Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C28H32N8O6
IUPAC Name n-(2-aminoethyl)-2-[4-[[2-[4-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]phenyl]acetyl]amino]phenyl]acetamide
Molecular Mass 576.604 g·mol−1
Heat of Formation -648.6 ± 16.7 kJ·mol−1
Dipole Moment 9.75 ± 1.08 D
Volume 662.6 Å 3
Surface Area 568.83 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy 2.07 ± eV
Point Group Symmetry C1
Synonyms
  • 6-adac
  • adenosine, n-(4-(2-((4-(2-((2-aminoethyl)amino)-2-oxoethyl)phenyl)amino)-2-oxoethyl)phenyl)-
  • n(6)-((aminoethylamino)carbonyl)methylphenyladenosine
  • n-(4-(2-((4-(2-((2-aminoethyl)amino)-2-oxoethyl)phenyl)amino)-2-oxoethyl)phenyl)adenosine
  • n-[4-[2-(2-aminoethylamino)-2-keto-ethyl]phenyl]-2-[4-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]phenyl]acetamide
  • n-[4-[2-(2-aminoethylamino)-2-oxo-ethyl]phenyl]-2-[4-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]ethanamide
  • n-[4-[2-(2-aminoethylamino)-2-oxo-ethyl]phenyl]-2-[4-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]phenyl]acetamide
  • n-[4-[2-(2-aminoethylamino)-2-oxoethyl]phenyl]-2-[4-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-purinyl]amino]phenyl]acetamide
  • n-[4-[2-(2-aminoethylamino)-2-oxoethyl]phenyl]-2-[4-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]phenyl]acetamide
CAS Number(s)
  • 96760-69-9
InChIKey JFRJCQJVFMHZOO-QZHHGCDDSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N