(2R,3R,4S,5R,2'R,3'R,4'S,5'R)-2,2'-[Methylenebis(Imino-9H-Purine-6,9-Diyl)]Bis[5-(Hydroxymethyl)Tetrahydro-3,4-Furandiol]

Molecule SVG Image

Properties Simple | Detailed

Formula C21H29N10O8
IUPAC Name [(2r,3s,4r,5r)-5-[6-[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(oxidomethyl)tetrahydrofuran-2-yl]purin-6-yl]azanidylmethylazanidyl]purin-7-ium-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl]methanolate
Molecular Mass 549.517 g·mol−1
Heat of Formation -894.3 ± 16.7 kJ·mol−1
Dipole Moment 5.09 ± 1.08 D
Volume 579.39 Å 3
Surface Area 492.4 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C2
Synonyms
  • (2r,3r,4s,5r)-2-[6-[[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-tetrahydrofuranyl]-6-purinyl]amino]methylamino]-9-purinyl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
  • (2r,3r,4s,5r)-2-[6-[[[9-[(2r,3r,4s,5r)-3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl]purin-6-yl]amino]methylamino]purin-9-yl]-5-methylol-tetrahydrofuran-3,4-diol
  • adenosine, n,n''-methylenebis-
  • me-bis(adp)
  • n,n'-methylenebis(adenosine diphosphate)
CAS Number(s)
  • 3128-30-1
InChIKey LZYDDSMPHLWIAE-NAGRZYTCSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N