(2R,3R,4R,5R)-2-(6-{[2-({9-[(2R,3R,4R,5R)-3-Acetoxy-4-Hydroxy-5-(Hydroxymethyl)Tetrahydro-2-Furanyl]-9H-Purin-6-Yl}Amino)Ethyl]Amino}-9H-Purin-9-Yl)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydro-3-Furanyl Aminoacetate

Molecule SVG Image

Properties Simple | Detailed

Formula C26H33N11O10
IUPAC Name [(2r,3r,4r,5r)-2-[6-[2-[[9-[(2r,3r,4r,5r)-3-acetoxy-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purine-1,3,7-triium-6-yl]amino]ethylamino]purine-1,3,7-triium-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] 2-aminoacetate
Molecular Mass 659.608 g·mol−1
Heat of Formation -1209.7 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 727.35 Å 3
Surface Area 614.1 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (2)'(3')-o-acetyl-2'(3')-o-glycyl-1,2-di(adenosine-n(6)-yl)ethane
  • 2'(3')-o-acetyl-2"-(3")-o-glycyl-1,2-di(adenosine-n(6)-yl)ethane
  • 2-aminoacetic acid [(2r,3r,4r,5r)-2-[6-[2-[[9-[(2r,3r,4r,5r)-3-acetoxy-4-hydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-purinyl]amino]ethylamino]-9-purinyl]-4-hydroxy-5-(hydroxymethyl)-3-tetrahydrofuranyl] ester
  • 2-aminoacetic acid [(2r,3r,4r,5r)-2-[6-[2-[[9-[(2r,3r,4r,5r)-3-acetoxy-4-hydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-5-methylol-tetrahydrofuran-3-yl] ester
  • [(2r,3r,4r,5r)-2-[6-[2-[[9-[(2r,3r,4r,5r)-3-acetoxy-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl] 2-aminoacetate
  • [(2r,3r,4r,5r)-2-[6-[2-[[9-[(2r,3r,4r,5r)-3-acetyloxy-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]ethylamino]purin-9-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 2-aminoethanoate
  • glycine, 2'(or 3')-ester with n-(2-((9-(2(or 3)-o-acetyl-beta-d-ribofuranosyl)-9h-purin-6-yl)amino)ethyl)adenosine
  • oaogdae
CAS Number(s)
  • 73681-43-3
InChIKey SWEBIRDELTYPIK-DQSURDJZSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N