(2R,3S,4R,5S)-4-{2-Chloro-6-[(3-Chlorobenzyl)Amino]-9H-Purin-9-Yl}-2,3-Dihydroxy-N-Methylbicyclo[3.1.0]Hexane-1-Carboxamide

Molecule SVG Image

Properties Simple | Detailed

Formula C20H20Cl2N6O3
IUPAC Name (1s,2r,3s,4r,5s)-4-[2-chloro-6-[(3-chlorophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-n-methyl-bicyclo[3.1.0]hexane-1-carboxamide
Molecular Mass 463.317 g·mol−1
Heat of Formation -149.5 ± 16.7 kJ·mol−1
Dipole Moment 1.10 ± 1.08 D
Volume 502.95 Å 3
Surface Area 438.52 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2r,3s,4r,5s)-4-[2-chloro-6-[(3-chlorobenzyl)amino]purin-9-yl]-2,3-dihydroxy-n-methyl-bicyclo[3.1.0]hexane-1-carboxamide
  • (1s,2r,3s,4r,5s)-4-[2-chloro-6-[(3-chlorophenyl)methylamino]-9-purinyl]-2,3-dihydroxy-n-methyl-1-bicyclo[3.1.0]hexanecarboxamide
  • (1s,2r,3s,4r,5s)-4-[2-chloro-6-[(3-chlorophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-n-methyl-bicyclo[3.1.0]hexane-1-carboxamide
  • (1s,2r,3s,4r,5s)-4-[2-chloro-6-[(3-chlorophenyl)methylamino]purin-9-yl]-2,3-dihydroxy-n-methylbicyclo[3.1.0]hexane-1-carboxamide
InChIKey GAYWHRPOIWFKIF-DDDALXFXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C N O Cl