Formula |
C20H27ClN6O3 |
IUPAC Name |
2-chloro-4-[[2-[[(1r)-1-(hydroxymethyl)-2-methyl-propyl]amino]-9-isopropyl-purine-1,3,7-triium-6-yl]amino]benzoic acid |
Molecular Mass |
434.920 g·mol−1 |
Heat of Formation |
-360.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.66 ± 1.08 D |
Volume |
503.15 Å 3 |
Surface Area |
435.43 Å 2 |
HOMO Energy |
-8.68 ± 0.55 eV |
LUMO Energy |
1.94 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GLMOWFMPIHUOLE-HNNXBMFYSA-O |
QR Code |
Generate QR Code |
Links |
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
Cl
O
N
|
|
|