5'-Deoxy-5'-(4-{[(2,3-Dihydroxy-5-Nitrobenzoyl)Amino]Methyl}-1H-1,2,3-Triazol-1-Yl)Adenosine

Molecule SVG Image

Properties Simple | Detailed

Formula C20H22N10O8
IUPAC Name n-[[1-[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]triazol-4-yl]methyl]-2,3-dihydroxy-5-nitrobenzamide
Molecular Mass 530.451 g·mol−1
Heat of Formation -420.4 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 567.31 Å 3
Surface Area 460.63 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
InChIKey KWTYQIOJSHGBKG-VXHCAWKWSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N