(2R,3R,4S,5R)-2-[6-[2-(4-Azido-3-Iodo-Phenyl)Ethylamino]Purine-1,3,7-Triium-9-Yl]-5-(Hydroxymethyl)Tetrahydrofuran-3,4-Diol

Molecule SVG Image

Properties Simple | Detailed

Formula C18H21IN8O4
IUPAC Name (2r,3s,4r,5r)-2-(hydroxymethyl)-5-[6-[2-[4-[(imino-λ5-azanylidene)amino]-3-iodo-phenyl]ethylamino]purin-9-yl]tetrahydrofuran-3,4-diol
Molecular Mass 540.315 g·mol−1
Heat of Formation -14.9 ± 16.7 kJ·mol−1
Dipole Moment 1.89 ± 1.08 D
Volume 500.67 Å 3
Surface Area 364.07 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 2.31 ± eV
Point Group Symmetry C1
InChIKey AZPRQRINHRTRPW-SCFUHWHPSA-O
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H C O N