(3As,4S,6Ar)-4-(5-{1-[4-(6-Amino-9H-Purin-9-Yl)Butyl]-1H-1,2,3-Triazol-4-Yl}Pentyl)Tetrahydro-1H-Thieno[3,4-D]Imidazol-2(3H)-One

Molecule SVG Image

Properties Simple | Detailed

Formula C21H32N10OS
IUPAC Name (3as,4s,6ar)-4-[5-[1-[4-(6-aminopurin-9-yl)butyl]triazol-4-yl]pentyl]-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
Molecular Mass 472.610 g·mol−1
Heat of Formation 163.9 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 566.1 Å 3
Surface Area 427.4 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
InChIKey GCOZLSRXMOWRSO-ULQDDVLXSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N