2-Amino-8-[4-(4-Aminophenyl)Anilino]-9-[(2R,4S,5R)-4-Hydroxy-5-(Hydroxymethyl)Tetrahydrofuran-2-Yl]-3H-Purine-1,7-Diium-4-Id-6-One

Molecule SVG Image

Properties Simple | Detailed

Formula C22H25N7O4+
IUPAC Name 2-amino-8-[4-(4-aminophenyl)anilino]-9-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-purine-1,7-diium-4-id-6-one
Molecular Mass 451.478 g·mol−1
Heat of Formation -251.2 ± 16.7 kJ·mol−1
Dipole Moment 9.43 ± 1.08 D
Volume 506.39 Å 3
Surface Area 412.83 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey SAMKMBPPQGVOJU-GVDBMIGSSA-P
QR Code Generate QR Code
Links
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N